SCHEMBL12490673

SCHEMBL12490673

COC(=O)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2349726 0.94 NPC1 (0.70) NPC1RAB9ACA1CA2TDP1
SCHEMBL11900371 0.91 SRD5A2 (0.57) NPC1RAB9ACA1CA2TDP1
SCHEMBL13944265 0.88 MEN1 (0.66) NPC1RAB9ACA1CA2TDP1
SCHEMBL11900436 0.88 ALDH1A1 (0.53) NPC1RAB9ACA1CA2TDP1
Hydrochloric Acid SCHEMBL4193255 0.86 MEN1 (0.69) NPC1RAB9ACA1CA2TDP1
SCHEMBL27682680 0.82 HSD17B10 (0.53) NPC1RAB9ATSHRALDH1A1KDM4E
SCHEMBL1065115 0.80 TSHR (0.53) NPC1RAB9ACA1CA2TDP1
SCHEMBL28993944 0.80 CA1 (0.80) NPC1RAB9ACA1CA2TDP1
SCHEMBL23600 0.80 CA1 (0.80) NPC1RAB9ACA1CA2TDP1
SCHEMBL5350433 0.80 NPC1 (0.89) NPC1RAB9ACA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
CN-107922347-A New imide derivative and its purposes as medicine 田边三菱制药株式会社 2018-04-17 CN disclosed
US-9540360-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-10 US disclosed
EP-2686302-B1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORP (JP) 2016-08-10 EP disclosed
US-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-06 US disclosed
US-8987445-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-24 US disclosed
EP-2686302-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY KALLYOPE, INC. 2014-01-02 US disclosed
CN-103443080-A Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORP 2013-12-11 CN disclosed
WO-2012124825-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-20 WO 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-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 NPC1 2033/4885RAB9A 2011/4885CA1 454/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 NPC1 4881/4885RAB9A 270/4885CA1 1423/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 NPC1 4882/4885RAB9A 345/4885CA1 1245/4885
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 NPC1 1731/4885RAB9A 1931/4885CA1 452/4885

“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.