SCHEMBL12181546

SCHEMBL12181546

CCc1cnn(C)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.42
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
NTRK1 P04629 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
SCHEMBL4924021 0.82 MPO (0.44) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL5263383 0.82 MPO (0.41) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL1842778 0.82 CYP11B2 (0.44) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL16229203 0.82 ALDH1A1 (0.30) CYP11B2ALDH1A1
SCHEMBL17653890 0.80 AGBL2 (0.40) MPOCYP11B2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14707646 0.78 MPO (0.46) MPOCYP11B2CYP1A2SMN1; SMN2GAA
SCHEMBL17653924 0.77 CCNE1 (0.38) MPOCYP11B2KDM4EALDH1A1MEN1
SCHEMBL27324058 0.76 LMNA (0.41) MPOCYP11B2KDM4ECYP1A2ALDH1A1
SCHEMBL25145864 0.74 CACNA1H (0.39) MPOCYP11B2CDK2
SCHEMBL1196081 0.73 POLB (0.57) CYP11B2KDM4ESMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
US-9332754-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-10 US disclosed
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-26 US disclosed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (6 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MPO 1767/4885CYP11B2 1428/4885KDM4E 3386/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MPO 321/4885CYP11B2 1907/4885KDM4E 2800/4885
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 MPO 4500/4885CYP11B2 2673/4885KDM4E 1417/4885
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3B, PDE3A, GUCY1B1 MPO 1269/4885CYP11B2 177/4885KDM4E 2697/4885
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 MPO 4500/4885CYP11B2 2673/4885KDM4E 1417/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 MPO 4500/4885CYP11B2 2673/4885KDM4E 1417/4885

“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.