SCHEMBL2026022

SCHEMBL2026022

COC(=O)c1cccc[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9682539 0.82 KDM4E (0.41) MAPTALDH1A1KDM4ELMNAPKM
SCHEMBL2955454 0.80 TDP1 (0.37) TSHRMAPTALDH1A1KDM4ELMNA
SCHEMBL25811944 0.78 TSHR (0.47) TSHRMAPTALDH1A1KDM4ELMNA
SCHEMBL4833163 0.78 TDP1 (0.43) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL1376005 0.77 GAA (0.40) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL29657528 0.77 GAA (0.40) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL1489277 0.75 KDM4E (0.44) TSHRMAPTALDH1A1KDM4ELMNA
SCHEMBL29475148 0.75 KDM4E (0.44) TSHRMAPTALDH1A1KDM4ELMNA
SCHEMBL19174283 0.74 TDP1 (0.41) TSHRMAPTALDH1A1KDM4EHPGD
SCHEMBL28336403 0.74 TSHR (0.42) TSHRMAPTALDH1A1KDM4ELMNA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783164-A Process for preparing apremilast citrate and intermediates thereof 泽维拉丹麦股份有限公司 2023-09-19 CN claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
CN-116783164-A Process for preparing apremilast citrate and intermediates thereof 泽维拉丹麦股份有限公司 2023-09-19 CN disclosed
US-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT JMACKEM CO., LTD (KR) 2023-05-11 US disclosed
EP-3256468-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2017-12-20 EP disclosed
US-9656992-B2 Pyrimidine compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
WO-2016127924-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 WO disclosed
US-20160159769-A1 Pyrimidine Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-09 US disclosed
EP-2964630-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2016-01-13 EP disclosed
EP-2928881-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
US-4312986-A REACTION OF CORRESPONDING ESTER OR CARBAMATE WITH MERCAPTO COMPOUND TOYAMA CHEMICAL CO., LTD. (JP) 1982-01-26 US disclosed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US disclosed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US disclosed
US-4263292-A BROAD SPECTRUM ANTIBIOTICS TOYAMA CHEMICAL CO., LTD. (JP) 1981-04-21 US disclosed
US-4071527-A Certain benzothiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-01-31 US disclosed
US-4036847-A ANTIBACTERIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-07-19 US disclosed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 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 (2 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-20160159769-A1 Pyrimidine Compounds for the Treatment of Hepatitis C TYMP, UMPS, NUDT1 TSHR 4223/4885MAPT 4037/4885ALDH1A1 534/4885
US-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT TRPV1, TRPA1, TRPV5 TSHR 4190/4885MAPT 2977/4885ALDH1A1 1330/4885

“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.