SCHEMBL18974573

SCHEMBL18974573

Cc1sc(N(CCC2CCCCC2)Cc2ccc(OC(F)(F)F)cc2)nc1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.38
TRPM8 Q7Z2W7 11/20 0.38
IDH1 O75874 1/20 0.37
AVPR1B P47901 1/20 0.37
MMP3 P08254 1/20 0.36
CMKLR1 Q99788 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL18975180 0.92 CXCR3 (0.39) CXCR3TRPM8AVPR1BMMP3KDM4E
SCHEMBL18975179 0.92 CXCR3 (0.39) CXCR3TRPM8AVPR1BMMP3KDM4E
SCHEMBL20530966 0.91 CXCR3 (0.39) CXCR3TRPM8AVPR1BMMP3CMKLR1
SCHEMBL18975172 0.88 TRPM8 (0.39) CXCR3TRPM8AVPR1BKDM4EALDH1A1
SCHEMBL18975171 0.88 CMKLR1 (0.43) MMP3CMKLR1KDM4EALDH1A1PSEN1
SCHEMBL18974933 0.87 CMKLR1 (0.39) CXCR3TRPM8IDH1CMKLR1PSEN1
SCHEMBL18975166 0.85 PTGDR2 (0.37) CXCR3TRPM8IDH1CMKLR1TAS2R14
SCHEMBL20530842 0.85 CXCR3 (0.37) CXCR3TRPM8
SCHEMBL22293231 0.84 TRPM8 (0.37) CXCR3TRPM8AVPR1BKDM4EALDH1A1
SCHEMBL18975167 0.81 GAA (0.37) CMKLR1KDM4EALDH1A1PSEN1PSEN2

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-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 EP disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 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 (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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 CXCR3 640/4885TRPM8 1137/4885IDH1 1387/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 CXCR3 640/4885TRPM8 1137/4885IDH1 1387/4885

“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.