SCHEMBL13427724

SCHEMBL13427724

CCC(CO)Nc1nc(Nc2ccc(S(=O)(=O)NCc3cccc(F)c3)cc2)ncc1Br

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.51
▸ CDK1 P06493 15/20 0.51
▸ CDK2 P24941 14/20 0.51
▸ KDR P35968 11/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ CDK7 P50613 2/20 0.51
▸ CDK9 P50750 2/20 0.51
▸ CCNT1 O60563 1/20 0.51
▸ CCND1 P24385 1/20 0.51
▸ CCNH P51946 1/20 0.51
▸ CCNB1 P14635 2/20 0.50
▸ CCNE1 P24864 2/20 0.50
▸ PTK2 Q05397 2/20 0.49

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
SCHEMBL4064128 1.00 NTRK1 (0.51) NTRK1CDK1CDK2KDRCA2
SCHEMBL4068264 0.93 NTRK1 (0.52) NTRK1CDK1CDK2KDRCA2
SCHEMBL4062580 0.90 CDK1 (0.64) NTRK1CDK1CDK2KDRCA2
SCHEMBL4061087 0.90 CDK1 (0.54) CDK1CDK2KDRCA2CDK4
SCHEMBL4062323 0.90 CDK1 (0.49) CDK1CDK2KDRCA2CDK4
SCHEMBL4059716 0.89 NTRK1 (0.43) NTRK1CDK1CDK2KDRCA2
SCHEMBL4063398 0.88 CDK1 (0.53) CDK1CDK2KDRCA2CDK4
SCHEMBL4064437 0.86 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL4061200 0.86 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL4060305 0.85 CDK1 (0.45) NTRK1CDK1CDK2KDRCA2

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
US-9422235-B2 Sulfonamide derivatives with therapeutic indications PHARMOS CORPORATION (US) 2016-08-23 — — US disclosed
US-9422235-B2 Sulfonamide derivatives with therapeutic indications PHARMOS CORPORATION (US) 2016-08-23 — — US disclosed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 — — US disclosed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 — — 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-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS SULT2A1, STS, SULT1A1 NTRK1 3899/4885CDK1 4203/4885CDK2 2615/4885

“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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