SCHEMBL13073944

SCHEMBL13073944

Cc1cc(C)c(OC(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.42
▸ SCN5A Q14524 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM2 Q14416 3/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ POLQ O75417 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PGK1 P00558 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ CACNG8 Q8WXS5 1/20 0.31
▸ MAPT P10636 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
SCHEMBL12828166 0.82 PDE2A (0.37) UHRF1PDE3BPDE3AMEN1KMT2A
SCHEMBL30932094 0.81 SCN5A (0.37) SCN5ACYP1A2S1PR1
SCHEMBL19795270 0.81 SCN5A (0.34) SCN5AS1PR1
SCHEMBL13073831 0.81 PGK1 (0.42) PDE3BPDE3ASLC6A4MEN1KMT2A
SCHEMBL20642466 0.81 PGK1 (0.36) SCN5ACYP1A2PGK1GRIA1CACNG8
SCHEMBL23044965 0.81 SCN5A (0.37) SCN5ACYP1A2S1PR1
SCHEMBL12828162 0.78 CYP3A4 (0.33) SCN5AAAK1
SCHEMBL13475570 0.75 SCN5A (0.38) SCN5AGRM2S1PR1PGK1
SCHEMBL4142773 0.74 UHRF1 (0.48) UHRF1SLC6A4CYP1A2CYP2A6SLC6A2
SCHEMBL30932101 0.73 AR (0.40) CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497093-B1 SULFONYL PYRIDYL TRP INHIBITORS HOFFMANN LA ROCHE (CH) 2021-09-15 — — EP disclosed
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 — — EP disclosed
WO-2018029288-A1 SULFONYL PYRIDYL TRP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-02-15 — — WO disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 — — WO disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 — — US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 — — US disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 — — US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 — — 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 (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-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 UHRF1 4868/4885SCN5A 24/4885PDE3B 835/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD UHRF1 4731/4885SCN5A 2898/4885PDE3B 993/4885

“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.

Send feedback