SCHEMBL965464

SCHEMBL965464

CCOC(=O)C(Cc1cccc(N)c1F)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MMP8 P22894 1/20 0.38
ESR1 P03372 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1891891 0.86 KMT2A (0.42) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL2425314 0.84 KMT2A (0.46) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL12917067 0.82 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL26613776 0.81 MRGPRX4 (0.41) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL31366991 0.81 MRGPRX4 (0.41) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL6587934 0.80 KMT2A (0.47) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL962319 0.80 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL3772090 0.79 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL16342407 0.79 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2MMP8TDP1
SCHEMBL23203481 0.79 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2MMP8TDP1

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 ALDH1A1 1983/4885HSD17B10 2348/4885TSHR 4125/4885
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 ALDH1A1 452/4885HSD17B10 194/4885TSHR 4227/4885
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 ALDH1A1 452/4885HSD17B10 194/4885TSHR 4227/4885

“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.