SCHEMBL297843

SCHEMBL297843

O=C(c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
NTRK1 P04629 1/20 0.47
KIT P10721 1/20 0.47
BRAF P15056 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALPL P05186 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP6 P55212 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL298707 0.92 CCR9 (0.46) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL3710534 0.89 CYP3A4 (0.57) MAPTPOLBLMNAKITBRAF
SCHEMBL3709466 0.89 PGR (0.50) KMT2AMEN1SMN1; SMN2TSHRKIT
SCHEMBL298315 0.89 CYP3A4 (0.49) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL298399 0.87 BRAF (0.45) KITBRAFCYP3A4ALPLCYP2C9
SCHEMBL298085 0.86 CYP19A1 (0.49) KMT2AMEN1POLBKITBRAF
SCHEMBL298104 0.85 CYP2C9 (0.53) GAAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL297350 0.85 CYP3A4 (0.51) GAAKMT2AKITBRAFCYP3A4
SCHEMBL298889 0.84 CCR9 (0.50) KITBRAFCYP3A4CYP2C9CYP2C19
SCHEMBL415942 0.84 RIPK1 (0.55) KMT2AMEN1MAPTPOLBHTT

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 6 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
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
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 GAA 3697/4885KMT2A 714/4885MEN1 2348/4885

“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.