SCHEMBL4987701

SCHEMBL4987701

O=C(CCl)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IDH1 O75874 7/20 0.42
PPARA Q07869 3/20 0.41
HDAC1 Q13547 2/20 0.41
FAAH O00519 1/20 0.41
IL6ST P40189 1/20 0.39
PPARG P37231 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
SCHEMBL9758542 1.00 NAAA (0.46) NAAARAB9ANPC1LMNATP53
SCHEMBL30812536 1.00 NAAA (0.46) NAAARAB9ANPC1LMNATP53
SCHEMBL1915646 0.87 NAAA (0.47) NAAAHPGDIDH1PPARAFAAH
SCHEMBL7346791 0.87 NAAA (0.47) NAAAHPGDIDH1PPARAFAAH
SCHEMBL1915643 0.87 NAAA (0.47) NAAAHPGDIDH1PPARAFAAH
SCHEMBL548889 0.87 NAAA (0.50) NAAAIDH1PPARAHDAC1FAAH
SCHEMBL16063845 0.87 NAAA (0.57) NAAAIDH1PPARAHDAC1FAAH
SCHEMBL31293011 0.87 NAAA (0.57) NAAAIDH1PPARAHDAC1FAAH
SCHEMBL24049987 0.86 NAAA (0.46) NAAAIDH1PPARAHDAC1FAAH
SCHEMBL20215398 0.86 NAAA (0.46) NAAAIDH1PPARAHDAC1FAAH

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077797-A1 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES EMORY UNIVERSITY 2019-03-14 US disclosed
US-20190077797-A1 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES EMORY UNIVERSITY 2019-03-14 US disclosed
WO-2017075590-A2 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES COCRYSTAL PHARMA, INC. (US) 2017-05-04 WO disclosed
WO-2017075590-A2 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES COCRYSTAL PHARMA, INC. (US) 2017-05-04 WO disclosed
US-7414156-B2 Non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation WARNER LAMBERT CO. (US) 2008-08-19 US disclosed
US-20050124830-A1 Non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation HOGE GARRETT S II (US) 2005-06-09 US disclosed
US-6855849-B2 Non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation WARNER-LAMBERT COMPANY (US) 2005-02-15 US disclosed
US-20040138487-A1 Bisphospholane ligands with metals for hydrogenation catalysts for enantiomorphs HOGE GARRETT STEWART 2004-07-15 US disclosed
EP-1171416-B1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS LILLY CO ELI (GB) 2004-02-18 EP disclosed
US-6689915-B2 AS CATALYSTS FOR USE IN ASYMMETRIC TRANSFORMATION REACTIONS TO PROVIDE HIGH ENANTIOMERIC EXCESSES OF FORMED COMPOUNDS WARNER-LAMBERT COMPANY LLC 2004-02-10 US disclosed
US-20030073868-A1 Non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation WARNER-LAMBERT COMPANY 2003-04-17 US disclosed
US-20020143214-A1 Synthesis of non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation HOGE GARRETT STEWART (US) 2002-10-03 US disclosed
EP-1243591-A2 Synthesis of non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation WARNER-LAMBERT COMPANY (US) 2002-09-25 EP disclosed
EP-1171416-A1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 2002-01-16 EP disclosed
WO-2000061539-A1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 2000-10-19 WO disclosed
US-5068345-A Oxazolidinone aldol adduct EASTMAN KODAK COMPANY (US) 1991-11-26 US disclosed
US-5012000-A Total synthesis of chiral 2-amino-1,3-diols EASTMAN KODAK COMPANY (US) 1991-04-30 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 (5 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-20050124830-A1 Non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation PHOSPHO1, PPIP5K2, BPGM NAAA 240/4885RAB9A 433/4885NPC1 3069/4885
US-20190077797-A1 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES DERA, DPYD, DUS2 NAAA 3397/4885RAB9A 2174/4885NPC1 4526/4885
US-20020143214-A1 Synthesis of non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation PHOSPHO1, PPIP5K2, PFKFB2 NAAA 316/4885RAB9A 876/4885NPC1 3220/4885
US-20030073868-A1 Non-C2-symmetric bisphosphine ligands as catalysts for asymmetric hydrogenation PHOSPHO1, PPIP5K2, DNM2 NAAA 320/4885RAB9A 549/4885NPC1 3017/4885
US-20040138487-A1 Bisphospholane ligands with metals for hydrogenation catalysts for enantiomorphs BPGM, PHOSPHO1, PPIP5K2 NAAA 359/4885RAB9A 859/4885NPC1 3881/4885

“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.