SCHEMBL1800799

SCHEMBL1800799

CNC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HPGD P15428 3/20 0.65
ALDH1A1 P00352 2/20 0.65
TSHR P16473 2/20 0.65
PTGS1 P23219 2/20 0.65
PTGS2 P35354 2/20 0.65
ESR1 P03372 1/20 0.65
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
HMGB1 P09429 1/20 0.65
GGT1 P19440 1/20 0.65
BLM P54132 1/20 0.65
NAPRT Q6XQN6 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL28010210 0.85 KDM4E (0.65) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL5302217 0.85 KDM4E (0.65) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL12468767 0.84 CTSD (0.69) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL2646539 0.82 KAT2B (0.57) HSD17B10HPGDTSHRKAT2BBAZ2B
SCHEMBL23763760 0.82 HSD17B10 (0.71) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL13527518 0.82 HSD17B10 (0.62) HSD17B10KDM4EHPGDALDH1A1TSHR
Aspirin SCHEMBL11692311 0.81 KDM4E (0.96) HSD17B10KDM4EHPGDALDH1A1TSHR
Aspirin SCHEMBL7767436 0.81 KDM4E (0.96) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL2646534 0.81 KAT2B (0.55) HPGDMEN1KMT2ALMNAKAT2B
SCHEMBL353828 0.81 CTSD (0.70) HSD17B10HPGDALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-8410309-B2 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-04-02 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-7951971-B1 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-31 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-1226104-B1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2009-04-08 EP disclosed
EP-1887008-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-02-13 EP disclosed
US-20060264513-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2006-11-23 US disclosed
US-7129274-B1 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2006-10-31 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-20060264513-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SLC46A1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS HSD17B10 1681/4885KDM4E 2884/4885HPGD 712/4885
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 HSD17B10 4117/4885KDM4E 2643/4885HPGD 816/4885

“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.