SCHEMBL298904

SCHEMBL298904

O=C(c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1F)c1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
PGR P06401 4/20 0.46
KIT P10721 1/20 0.46
BRD4 O60885 1/20 0.44
BRAF P15056 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43
CYP2C9 P11712 3/20 0.43
SLC40A1 Q9NP59 1/20 0.43
KAT6A Q92794 1/20 0.42

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
SCHEMBL298860 0.91 CYP3A4 (0.54) CYP3A4KITBRAFALDH1A1SMN1; SMN2
SCHEMBL298469 0.90 ALDH1A1 (0.47) CYP3A4KITBRD4BRAFALDH1A1
SCHEMBL298354 0.89 CYP3A4 (0.53) CYP3A4PGRKITBRD4BRAF
SCHEMBL298650 0.88 BRAF (0.51) CYP3A4PGRKITBRAFSMN1; SMN2
SCHEMBL298074 0.87 CLK1 (0.46) CYP3A4BRAFALDH1A1CYP2C9
SCHEMBL298424 0.86 SLC40A1 (0.48) CYP3A4KITBRAFCYP2C9SLC40A1
SCHEMBL298047 0.84 BRAF (0.56) CYP3A4KITBRAFCYP2C9SLC40A1
SCHEMBL297491 0.83 BRAF (0.51) CYP3A4BRAFCYP2C9
SCHEMBL858685 0.83 CYP3A4 (0.59) CYP3A4KITBRAFCYP2C9
SCHEMBL299744 0.82 CCR9 (0.51) CYP3A4BRAF

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 5 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

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 CYP3A4 3611/4885PGR 3789/4885KIT 1330/4885

“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.