SCHEMBL1845841

SCHEMBL1845841

COc1ccc(CCCOS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.53
CALM1 P0DP23 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 2/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MMP9 P14780 1/20 0.47
TSHR P16473 1/20 0.47
IGF1R P08069 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1843955 0.95 APLNR (0.51) APLNRCALM1CA12CA1CA2
SCHEMBL9701570 0.93 TDP1 (0.54) APLNRCALM1CA12CA1CA2
SCHEMBL24041808 0.91 APLNR (0.47) APLNRCALM1CA12CA1CA2
SCHEMBL1845745 0.89 APLNR (0.56) APLNRCALM1CA12CA1CA2
SCHEMBL13649252 0.86 KDM4E (0.47) APLNRALDH1A1ALOX15KDM4EUSP2
SCHEMBL3540841 0.84 ALDH1A1 (0.52) CA2ALDH1A1SMN1; SMN2ALOX15KDM4E
SCHEMBL7240629 0.83 APLNR (0.50) APLNRCALM1CA12CA1CA2
SCHEMBL3582813 0.83 CALM1 (0.49) APLNRCALM1CA12CA1CA2
SCHEMBL6620386 0.83 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL24041775 0.83 APLNR (0.50) APLNRCA12CA1CA2CA5A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP disclosed
US-7368450-B2 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. (US) 2008-05-06 US disclosed
EP-1485359-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2007-12-05 EP disclosed
EP-0925289-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-06-30 EP disclosed
WO-1999002510-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-21 WO disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 WO disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4395410-A Quaternary ammonium antiarrhythmic drugs ELI LILLY AND COMPANY (US) 1983-07-26 US disclosed
EP-0002604-B1 QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION ELI LILLY AND COMPANY (US) 1983-05-04 EP disclosed
US-4289787-A PROLONG ACTION POTENTIAL OF CARDIAC TISSUE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO APLNR 883/4885CALM1 3504/4885CA12 4815/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 APLNR 106/4885CALM1 1873/4885CA12 2783/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR APLNR 240/4885CALM1 583/4885CA12 2302/4885

“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.