SCHEMBL4869403

SCHEMBL4869403

NC(=O)c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
PARP10 Q53GL7 14/20 0.53
PARP4 Q9UKK3 2/20 0.53
PARP15 Q460N3 2/20 0.53
KMT2A Q03164 1/20 0.53
PARP14 Q460N5 1/20 0.53
PARP16 Q8N5Y8 1/20 0.53
PARP11 Q9NR21 1/20 0.53
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
MAOB P27338 2/20 0.46
PARP3 Q9Y6F1 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
SCHEMBL850939 0.83 ALDH1A1 (0.77) ALDH1A1TSHRHSD17B10TRPV1PARP10
SCHEMBL324161 0.82 PARP10 (0.59) ALDH1A1TRPV1PARP10PARP4PARP15
SCHEMBL2714104 0.81 TRPV1 (0.57) ALDH1A1TSHRHSD17B10TRPV1MAPT
SCHEMBL2366475 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TRPV1KMT2A
Hydrochloric Acid SCHEMBL11888844 0.81 PARP10 (0.57) ALDH1A1TRPV1PARP10PARP4PARP15
Hydrochloric Acid SCHEMBL3785321 0.81 PARP10 (0.57) ALDH1A1TRPV1PARP10PARP4PARP15
SCHEMBL10664357 0.81 TRPV1 (0.61) ALDH1A1TSHRHSD17B10TRPV1KMT2A
SCHEMBL1907911 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TRPV1MAPT
SCHEMBL9173852 0.79 PARP10 (0.55) ALDH1A1PARP10PARP4PARP15KMT2A
SCHEMBL9643765 0.79 TRPV1 (0.58) ALDH1A1TSHRHSD17B10TRPV1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20240199692-A1 POLYPEPTIDE HAVING MMP2-INHIBITORY EFFECT TAISHO PHARMACEUTICAL CO., LTD. (JP) 2024-06-20 US disclosed
EP-4056581-A1 POLYPEPTIDE HAVING MMP2-INHIBITORY EFFECT Taisho Pharmaceutical Co., Ltd. (JP) 2022-09-14 EP disclosed
CN-114450294-A Polypeptide with MMP2 inhibitory effect 大正制药株式会社 2022-05-06 CN disclosed
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 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-20240199692-A1 POLYPEPTIDE HAVING MMP2-INHIBITORY EFFECT MMP2, MMP26, MMP25 ALDH1A1 3468/4885TSHR 1247/4885HSD17B10 1442/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 ALDH1A1 843/4885TSHR 397/4885HSD17B10 3959/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G ALDH1A1 364/4885TSHR 717/4885HSD17B10 2353/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 ALDH1A1 592/4885TSHR 1641/4885HSD17B10 2013/4885

“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.