SCHEMBL1473799

SCHEMBL1473799

C=Cc1ccc(C(C)(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 1/20 0.36
TRPA1 O75762 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TUBB1 Q9H4B7 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24741219 0.85 TRPA1 (0.37) PTGS1PTGS2ALDH1A1TP53TDP1
SCHEMBL25665110 0.84 PTGS1 (0.43) PTGS1PTGS2ALDH1A1TP53TDP1
SCHEMBL25512421 0.83 PTGS1 (0.42) PTGS1PTGS2ALDH1A1KIF11NFE2L2
SCHEMBL11855670 0.82 KIF11 (0.53) ALDH1A1KIF11
SCHEMBL15496932 0.80 AR (0.37) PTGS1PTGS2ALDH1A1TP53TDP1
SCHEMBL30874807 0.80 KIF11 (0.51) PTGS1PTGS2ALDH1A1TDP1KIF11
SCHEMBL16962162 0.80 PTGS1 (0.43) PTGS1PTGS2ALDH1A1TDP1KIF11
SCHEMBL16846737 0.80 KIF11 (0.51) PTGS1PTGS2ALDH1A1TDP1KIF11
SCHEMBL1204171 0.78 TP53 (0.42) PTGS1PTGS2ALDH1A1TP53TDP1
SCHEMBL30920089 0.76 ALDH1A1 (0.48) PTGS1PTGS2ALDH1A1TP53TDP1

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
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS HANAZAWA TAKESHI 2011-06-23 US disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 US 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 (4 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 PTGS1 1628/4885PTGS2 3254/4885ALDH1A1 1314/4885
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS OPRL1, CNR1, TRPV1 PTGS1 228/4885PTGS2 625/4885ALDH1A1 956/4885
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs TYR, MAPT, DDC PTGS1 4549/4885PTGS2 4651/4885ALDH1A1 3131/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 PTGS1 1630/4885PTGS2 3232/4885ALDH1A1 1339/4885

“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.