SCHEMBL959804

SCHEMBL959804

Cc1c(Oc2sccc2N)c(=O)oc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.53
CCR4 P51679 1/20 0.47
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
ERAP1 Q9NZ08 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 5/20 0.43
GLA P06280 5/20 0.43
GAA P10253 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CA12 O43570 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
AKR1B1 P15121 1/20 0.43
UGT1A1 P22309 1/20 0.43

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
SCHEMBL961248 0.75 HSD17B3 (0.55) HSD17B3ESR1ESR2ERAP1NPC1
SCHEMBL12521082 0.74 HSD17B3 (0.53) HSD17B3ESR1ESR2ERAP1NPC1
SCHEMBL6907581 0.72 HSD17B3 (0.75) HSD17B3CCR4ESR1ESR2ERAP1
SCHEMBL27817043 0.72 HSD17B3 (0.65) HSD17B3ESR1ESR2ERAP1NPC1
SCHEMBL15950101 0.72 HSD17B3 (0.65) HSD17B3CCR4ESR1ESR2ERAP1
SCHEMBL591899 0.72 HSD17B3 (1.00) HSD17B3CCR4ESR1ESR2ERAP1
SCHEMBL31366988 0.72 HSD17B3 (1.00) HSD17B3CCR4ESR1ESR2ERAP1
Hydrochloric Acid SCHEMBL961541 0.71 HSD17B3 (0.73) HSD17B3CCR4ESR1ESR2ERAP1
SCHEMBL194511 0.71 HSD17B3 (0.63) HSD17B3CCR4ESR1ESR2ERAP1
SCHEMBL30763746 0.71 HSD17B3 (0.63) HSD17B3CCR4ESR1ESR2ERAP1

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
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 EP 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 (3 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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 HSD17B3 2321/4885CCR4 4036/4885ESR1 547/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 HSD17B3 704/4885CCR4 1373/4885ESR1 2405/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 HSD17B3 704/4885CCR4 1373/4885ESR1 2405/4885

“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.