SCHEMBL3176116

SCHEMBL3176116

CS(=O)(=O)N1CCc2cc(-c3nc(CC4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)no3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL3177435 0.87 GPR119 (0.45) LMNACXCR3KMT2AS1PR1KDM4E
SCHEMBL3177263 0.81 GPR119 (0.41) SMN1; SMN2LMNAKMT2AHTTCHEK1
SCHEMBL3181977 0.81 ESR1 (0.39) LMNAKMT2ACHRM4S1PR1KDM4E
SCHEMBL3189387 0.80 AVPR1A (0.41) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL3188612 0.80 ESR1 (0.37) LMNAKMT2ACHRM4CHRM5CHRM1
SCHEMBL3178944 0.80 GPR119 (0.41) KDM4EGPR119
SCHEMBL3177991 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHSD11B1CXCR3KMT2A
SCHEMBL13531824 0.78 ESR1 (0.42) LMNAKMT2ACHRM4S1PR1CHRM5
SCHEMBL3182464 0.77 ESR1 (0.43) LMNAKMT2ACHRM4S1PR1CHRM5
Hydrochloric Acid SCHEMBL3181917 0.77 ESR1 (0.42) LMNAKMT2ACHRM4S1PR1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US claimed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — WO claimed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — 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 (1 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 SMN1; SMN2 4572/4885LMNA 3407/4885HSD11B1 725/4885

“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.

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