SCHEMBL15470997

SCHEMBL15470997

CC1(F)Oc2cccc(C(C)(C)C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13765704 0.84 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2662890 0.84 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL15470991 0.83 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL12109016 0.81 ALDH1A1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25541853 0.76 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12111327 0.76 CA2 (0.34) CA2GABRA1GABRB2ALDH1A1
SCHEMBL14547572 0.76 HTR2C (0.32) CA2ALDH1A1
SCHEMBL2666086 0.74 CD44 (0.34) ALDH1A1TSHRTDP1
SCHEMBL23719108 0.71 GABRA1 (0.36) GABRA1GABRB2ALDH1A1
SCHEMBL15887374 0.71 GABRA1 (0.36) CA2GABRA1GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20180215760-A1 ARYL SUBSTITUTED BICYCLIC COMPOUNDS AS HERBICIDES FMC CORPORATION 2018-08-02 US disclosed
US-20180141904-A1 SUBSTITUTED CYCLIC AMIDES AS HERBICIDES FMC CORPORATION 2018-05-24 US disclosed
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 US disclosed
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-03 US disclosed
US-9708293-B2 N-(pyridin-2-yl)pyrimidin-4-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-9669034-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-06 US disclosed
US-20150291559-A1 N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-15 US disclosed
US-20150274695-A1 N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-01 US disclosed
US-9133171-B2 Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 US disclosed
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 US disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 US disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 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 (11 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 CA2 4685/4885GABRA1 4550/4885GABRB2 4411/4885
US-20150274695-A1 N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFONE GROUP TPMT, PAH, CCNI CA2 4449/4885GABRA1 4482/4885GABRB2 3944/4885
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FASN, NAAA, FPR3 CA2 2709/4885GABRA1 748/4885GABRB2 991/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885GABRA1 764/4885GABRB2 482/4885
US-20180215760-A1 ARYL SUBSTITUTED BICYCLIC COMPOUNDS AS HERBICIDES CYP1B1, CYP1A1, CBR3 CA2 776/4885GABRA1 1394/4885GABRB2 1506/4885
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 CA2 4753/4885GABRA1 4440/4885GABRB2 4140/4885
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 CA2 4753/4885GABRA1 4440/4885GABRB2 4140/4885
US-20180141904-A1 SUBSTITUTED CYCLIC AMIDES AS HERBICIDES CHRM2, DDT, CYP1A1 CA2 175/4885GABRA1 3432/4885GABRB2 3812/4885
US-20150291559-A1 N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP PNPO, TPMT, TYMP CA2 4800/4885GABRA1 4276/4885GABRB2 3343/4885
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP CA2 4744/4885GABRA1 4517/4885GABRB2 3854/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885GABRA1 764/4885GABRB2 482/4885

“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.