SCHEMBL287786

SCHEMBL287786

CCCS(=O)(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGES2 Q9H7Z7 2/20 0.47
KIT P10721 1/20 0.46
BRAF P15056 8/20 0.46
TLR4 O00206 4/20 0.45

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
SCHEMBL27872515 0.84 HPGD (0.53) KMT2ACYP3A4CYP2C9CYP2C19PTGES2
SCHEMBL856209 0.84 CYP3A4 (0.57) KMT2ACYP3A4CYP2C9CYP2C19KIT
SCHEMBL6196899 0.82 KMT2A (0.64) KMT2APTGES2TLR4
SCHEMBL31388990 0.81 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL16492686 0.78 KMT2A (0.55) KMT2ATLR4
SCHEMBL1462080 0.76 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19KITBRAF
SCHEMBL1442576 0.76 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19KITBRAF
SCHEMBL22315270 0.76 KMT2A (0.59) KMT2APTGES2
SCHEMBL13961979 0.75 CYP3A4 (0.74) CYP3A4CYP2C9CYP2C19KITBRAF
SCHEMBL20290537 0.74 KMT2A (0.51) KMT2APTGES2TLR4

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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 (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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF KMT2A 714/4885CYP3A4 3611/4885CYP2C9 2176/4885

“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.