SCHEMBL16894164

SCHEMBL16894164

CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C(F)(F)F)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ GLS O94925 3/20 0.45
▸ TRPV1 Q8NER1 2/20 0.43
▸ SYK P43405 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ KLKB1 P03952 1/20 0.39

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
SCHEMBL3847043 0.85 BRD4 (0.47) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL16965314 0.84 SYK (0.43) SYKCYP1A2CYP3A4CYP2C9L3MBTL1
SCHEMBL16894245 0.84 BRD4 (0.44) BRD4CREBBPGLSTRPV1SYK
SCHEMBL18223779 0.80 TRPV1 (0.41) TRPV1L3MBTL1GRM2DYRK1A
SCHEMBL30504293 0.80 HDAC1 (0.56) BRD4CREBBPGLSHDAC1CTSB
SCHEMBL18290410 0.79 CARM1 (0.43) SYKTRPA1
SCHEMBL31755970 0.78 BRD4 (0.49) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL4402738 0.78 BRD4 (0.49) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL16894279 0.78 BRD4 (0.46) BRD4CREBBPGLSSYKCYP3A4
SCHEMBL18664426 0.77 HDAC1 (0.60) BRD4CREBBPGLSHDAC1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 — — US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 — — 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 BRD4 2348/4885CREBBP 2595/4885GLS 964/4885

“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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