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Sugi Predict / Compounds / SCHEMBL1476574

SCHEMBL1476574

SCHEMBL1476574

CC(C)(C)c1ccc(C2CC2C(=O)O)c(-c2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.41
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SLC22A12 Q96S37 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1474218 0.82 DRD2 (0.39) KIF11DRD2DRD1TBXA2RDRD4
SCHEMBL5281212 0.76 CYP4F2 (0.39) TRPV1RXRARXRB
SCHEMBL1474158 0.72 SLC6A2 (0.38) KIF11TRPV1
SCHEMBL1474207 0.69 FFAR1 (0.55) CYP2C9TRPV1
SCHEMBL301271 0.69 FFAR1 (0.55) CYP2C9TRPV1
SCHEMBL10288267 0.69 FFAR1 (0.55) CYP2C9TRPV1
SCHEMBL1019296 0.66 ALDH1A1 (0.57) ITK
SCHEMBL1017427 0.66 ALDH1A1 (0.57) ITK
SCHEMBL1017425 0.66 ALDH1A1 (0.57) ITK
SCHEMBL23960848 0.65 KIF11 (0.59) KIF11GCGR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 — — EP 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
CN-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 — — CN 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 (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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 KIF11 3258/4885PDE4A 4227/4885PDE4B 4425/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 KIF11 3254/4885PDE4A 4241/4885PDE4B 4449/4885

“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.