SCHEMBL960281

SCHEMBL960281

Cc1c(S(=O)(=O)Nc2cccc(N)c2)c(=O)oc2cc(O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.50
MAP1LC3B Q9GZQ8 5/20 0.46
MAP1LC3A Q9H492 4/20 0.46
ERAP1 Q9NZ08 2/20 0.46
CA2 P00918 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
ACHE P22303 1/20 0.43
HTR6 P50406 2/20 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
SCHEMBL1493251 0.85 MAOB (0.51) HSD17B3MAP1LC3BMAP1LC3AERAP1KDM4E
SCHEMBL959533 0.81 HSD17B3 (0.56) HSD17B3MAP1LC3BMAP1LC3AERAP1CA2
SCHEMBL12694018 0.77 HSD17B3 (0.51) HSD17B3MAP1LC3BMAP1LC3AERAP1NPSR1
SCHEMBL12724322 0.76 ATM (0.53) HSD17B3ERAP1CA2NPSR1RXFP1
SCHEMBL10847031 0.71 HSD17B3 (0.84) HSD17B3ERAP1CA2NPSR1RXFP1
SCHEMBL959893 0.70 KDM4E (0.76) HSD17B3ERAP1NPSR1KDM4EGLA
SCHEMBL961248 0.70 HSD17B3 (0.55) HSD17B3MAP1LC3BMAP1LC3AERAP1NPSR1
SCHEMBL12694090 0.70 HSD17B3 (0.55) HSD17B3ERAP1CA2NPSR1RXFP1
SCHEMBL6907581 0.70 HSD17B3 (0.75) HSD17B3ERAP1CA2NPSR1RXFP1
SCHEMBL28270279 0.70 HTR6 (0.61) CA2KDM4EGAAHTR6

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-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
CN-101384577-B Novel coumarin derivative having antitumor activity CHUGAI PHARMACEUTICAL CO LTD 2011-10-19 CN 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 2321/4885MAP1LC3B 1750/4885MAP1LC3A 1681/4885
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 704/4885MAP1LC3B 4152/4885MAP1LC3A 3945/4885
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 704/4885MAP1LC3B 4152/4885MAP1LC3A 3945/4885

“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.