SCHEMBL1493251

SCHEMBL1493251

CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)c3ccc(O)cc3oc2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
MAP1LC3B Q9GZQ8 5/20 0.48
MAP1LC3A Q9H492 4/20 0.48
HSD17B3 P37058 3/20 0.48
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 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
SCHEMBL960281 0.85 HSD17B3 (0.50) MAP1LC3BMAP1LC3AHSD17B3ERAP1KDM4E
SCHEMBL12694015 0.81 SMN1; SMN2 (0.55) MAOBMAP1LC3BMAP1LC3AHSD17B3NPC1
SCHEMBL12694088 0.79 ATM (0.50) MAP1LC3BMAP1LC3AHSD17B3NPC1TP53
SCHEMBL961292 0.76 MAOB (0.57) MAOBMAP1LC3BMAP1LC3AHSD17B3NPC1
SCHEMBL962253 0.74 HSD17B3 (0.67) MAOBHSD17B3NPC1TSHRPKM
SCHEMBL11116005 0.74 HSD17B3 (0.59) MAOBHSD17B3TSHRALDH1A1ERAP1
SCHEMBL15395183 0.72 PDE2A (0.65) MAOBHSD17B3TSHRSMN1; SMN2ALDH1A1
SCHEMBL10847031 0.70 HSD17B3 (0.84) MAOBHSD17B3NPC1TSHRALDH1A1
SCHEMBL26768836 0.70 PDE2A (0.65) MAOBMAP1LC3BMAP1LC3AHSD17B3TSHR
SCHEMBL12694018 0.69 HSD17B3 (0.51) MAOBMAP1LC3BMAP1LC3AHSD17B3TSHR

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 8 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-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
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 (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-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAOB 3526/4885MAP1LC3B 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 MAOB 3526/4885MAP1LC3B 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.