SCHEMBL963908

SCHEMBL963908

Cc1c(Cc2cccc(N)c2)c(=O)oc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.67
ALDH1A1 P00352 9/20 0.65
ALDH1A2 O94788 1/20 0.65
ALDH1B1 P30837 1/20 0.65
ALDH1A3 P47895 1/20 0.65
MAP2K1 Q02750 6/20 0.65
ACHE P22303 1/20 0.56
KDM4E B2RXH2 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.52
RAF1 P04049 3/20 0.51
HPGD P15428 4/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GLA P06280 1/20 0.49
HSD17B3 P37058 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49

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
SCHEMBL959165 0.83 MAP2K1 (0.61) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3
SCHEMBL960396 0.82 MAP2K1 (0.67) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3
SCHEMBL960970 0.80 MAP2K1 (0.67) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3
SCHEMBL12702201 0.80 MAP2K1 (0.66) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3
SCHEMBL960703 0.79 MAP2K1 (0.70) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3
SCHEMBL31980592 0.79 MAP2K1 (0.70) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3
SCHEMBL963811 0.78 MAP2K1 (1.00) ALDH1A1MAP2K1KDM4ESMN1; SMN2KMT2A
SCHEMBL10847170 0.78 HPGD (0.72) STSHPGD
SCHEMBL959893 0.78 KDM4E (0.76) STSALDH1A1MAP2K1ACHEKDM4E
Dimethylamine SCHEMBL961005 0.76 MAP2K1 (0.59) STSALDH1A1ALDH1A2ALDH1B1ALDH1A3

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 19 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-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
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-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-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 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
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
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
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US 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 STS 4380/4885ALDH1A1 1983/4885ALDH1A2 2055/4885
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 STS 41/4885ALDH1A1 452/4885ALDH1A2 2137/4885
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 STS 41/4885ALDH1A1 452/4885ALDH1A2 2137/4885

“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.