SCHEMBL12508243

SCHEMBL12508243

Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
NOTUM Q6P988 12/20 0.51
RAPGEF4 Q8WZA2 1/20 0.49
COMT P21964 1/20 0.47
CYP1A2 P05177 1/20 0.45
KCNH2 Q12809 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
IDO1 P14902 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL2698021 0.88 NOTUM (0.61) NOTUMCOMTCYP1A2PDE3BPDE3A
SCHEMBL167133 0.84 RAPGEF4 (0.54) NOTUMRAPGEF4IDO1HTR3EHTR3B
SCHEMBL1041571 0.82 NOTUM (0.53) ARNOTUMCYP1A2PDE3BPDE3A
SCHEMBL17297750 0.81 NOTUM (0.49) NOTUMCOMTCYP1A2KCNH2PDE3B
SCHEMBL322688 0.81 KIF11 (0.59) ARNOTUMCOMTCYP1A2IDO1
SCHEMBL12603808 0.80 IDO1 (0.50) NOTUMKCNH2PDE3BPDE3AIDO1
SCHEMBL17297890 0.80 AR (0.61) ARNOTUMPDE3BPDE3A
SCHEMBL700817 0.79 NOTUM (0.51) ARNOTUMCYP1A2PDE3BPDE3A
SCHEMBL13906328 0.78 AR (0.59) ARPDE3BPDE3A
SCHEMBL6182056 0.78 IDO1 (0.51) NOTUMCYP1A2PDE3BPDE3AIDO1

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-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2016-07-21 US disclosed
US-9302984-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2016-04-05 US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 US disclosed
US-20150266815-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2015-09-24 US disclosed
US-9050329-B1 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2015-06-09 US disclosed
US-20150141472-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2015-05-21 US disclosed
US-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-07-14 US disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 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 (5 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-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA AR 1164/4885NOTUM 3682/4885RAPGEF4 2578/4885
US-20150141472-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA AR 1131/4885NOTUM 3678/4885RAPGEF4 2531/4885
US-20150266815-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA AR 1131/4885NOTUM 3678/4885RAPGEF4 2531/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 AR 4271/4885NOTUM 3297/4885RAPGEF4 1781/4885
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA AR 1131/4885NOTUM 3678/4885RAPGEF4 2531/4885

“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.