SCHEMBL7694115

SCHEMBL7694115

O=C1C2C3C=CC(C3)C2C(=O)N1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1123548 0.73 SRC (0.47) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL6889234 0.71 SRC (0.42) KDM4EMAPTL3MBTL1TDP1
SCHEMBL13327132 0.70 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL11676453 0.70 HPGD (0.65) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL19341895 0.70 SRC (0.47) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL19341896 0.70 ALOX12 (0.46) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL16182028 0.69 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9782104 0.68 SRC (0.48) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL13583550 0.68 PARL (0.57) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2858596 0.68 SRC (0.52) TSHRMEN1KMT2AKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 — — US disclosed
EP-4200309-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES ATEA Pharmaceuticals, Inc. (US) 2023-06-28 — — EP disclosed
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 — — EP disclosed
WO-2022040473-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2022-02-24 — — WO disclosed
US-10959987-B2 Imidazole-based compounds as hepatitis C virus inhibitors KING ABDULAZIZ UNIVERSITY (SA) 2021-03-30 — — US disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 — — WO disclosed
US-20200368204-A1 COMPOUNDS FOR INHIBITING NS3 AND COMPOSITIONS CONTAINING THE INHIBITED PROTEIN KING ABDULAZIZ UNIVERSITY (SA) 2020-11-26 — — US disclosed
US-10821096-B1 Compounds for inhibiting NS3 and compositions containing the inhibited protein KING ABDULAZIZ UNIVERSITY (SA) 2020-11-03 — — US disclosed
US-20200323822-A1 IMIDAZOLE-BASED COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS KING ABDULAZIZ UNIVERSITY (SA) 2020-10-15 — — US disclosed
EP-2340271-B1 POLYMER-BIOACTIVE AGENT CONJUGATES POLYACTIVA PTY LTD (AU) 2018-12-05 — — EP disclosed
EP-3134381-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS The University of Nottingham (GB) 2017-03-01 — — EP disclosed
US-20170044282-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS THE UNIVERSITY OF NOTTINGHAM (GB) 2017-02-16 — — US disclosed
WO-2015162419-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS THE UNIVERSITY OF NOTTINGHAM (GB) 2015-10-29 — — WO disclosed
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 — — US disclosed
EP-2870169-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS Bristol-Myers Squibb Company (US) 2015-05-13 — — EP disclosed
WO-2014008236-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-09 — — WO disclosed
WO-2001000609-A9 METHOD FOR SYNTHESIS OF N-HOMOCYSTEINE THIOLACTONYL RETINAMIDE UNIV BAYLOR (US) 2002-07-25 — — WO disclosed
US-6287818-B1 CONJUGATING, IN SINGLE REACTION MIXTURE, RETINOIC ACID WITH HOMOCYSTEINE THIOLACTONE TO FORM N-HOMOCYSTEINE THIOLACTONYL RETINAMIDE, THEN MIXING WITH 5'-DEOXYADENOSINE COBALAMIN; HIGH PURITY AND YIELD; ANTICANCER AGENTS WITH REDUCED TOXICITY BAYLOR UNIVERSITY 2001-09-11 — — US disclosed
WO-2001000609-A1 METHOD FOR SYNTHESIS OF N-HOMOCYSTEINE THIOLACTONYL RETINAMIDE BAYLOR UNIVERSITY (US) 2001-01-04 — — WO disclosed
US-6054595-A REACTING RETINOIC ACID WITH HOMOCYSTEINE THIOLACTONE BAYLOR UNIVERSITY (US) 2000-04-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200368204-A1 COMPOUNDS FOR INHIBITING NS3 AND COMPOSITIONS CONTAINING THE INHIBITED PROTEIN MAVS, CUL1, CUL3 ALDH1A1 3525/4885SMN1; SMN2 4468/4885TSHR 4719/4885
US-20200323822-A1 IMIDAZOLE-BASED COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, ZC3HAV1 ALDH1A1 1548/4885SMN1; SMN2 4742/4885TSHR 4071/4885
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS SAMHD1, TYMP, PNP ALDH1A1 1868/4885SMN1; SMN2 433/4885TSHR 4237/4885
US-10821096-B1 Compounds for inhibiting NS3 and compositions containing the inhibited protein MAVS, CUL1, CUL3 ALDH1A1 3525/4885SMN1; SMN2 4468/4885TSHR 4719/4885
US-20170044282-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS GGPS1, DHPS, FDPS ALDH1A1 966/4885SMN1; SMN2 4751/4885TSHR 4694/4885
US-10959987-B2 Imidazole-based compounds as hepatitis C virus inhibitors HAVCR2, MAVS, ZC3HAV1 ALDH1A1 1548/4885SMN1; SMN2 4742/4885TSHR 4071/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ALDH1A1 946/4885SMN1; SMN2 1243/4885TSHR 3475/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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