SCHEMBL3892767

SCHEMBL3892767

COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C2=O)cc(OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ PTPN1 P18031 8/20 0.47
▸ ACP1 P24666 7/20 0.47
▸ PTPN2 P17706 4/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PSMD14 O00487 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11996412 1.00 PTGES (0.47) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL11996411 1.00 PTGES (0.47) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL11996392 0.93 PTPN1 (0.46) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL11996391 0.93 PTPN1 (0.46) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL3955366 0.93 PTPN1 (0.46) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL11996416 0.92 PTGES (0.43) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL11996414 0.92 PTGES (0.43) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL11996415 0.92 PTGES (0.43) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL3893584 0.88 PTGES (0.47) PTGESPTPN1ACP1PTPN2AKR1B1
SCHEMBL3893586 0.88 PTGES (0.47) PTGESPTPN1ACP1PTPN2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001226-B Tricyclic heterocyclic compounds and JAK inhibitor 日产化学工业株式会社 2017-09-08 — — CN disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 — — US disclosed
CN-103732597-B Tricyclic heterocyclic compounds and JAK inhibitors 日产化学工业株式会社 2016-08-17 — — CN disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 — — US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 — — US disclosed
CN-105001226-A Tricycle heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2015-10-28 — — CN disclosed
CN-103732597-A Tricyclic heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2014-04-16 — — CN disclosed
US-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 — — US disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 — — US disclosed
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 — — WO 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 (1 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 PTGES 1550/4885PTPN1 488/4885ACP1 1587/4885

“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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