SCHEMBL298424

SCHEMBL298424

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.48
KIT P10721 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
BRAF P15056 3/20 0.43
CCR9 P51686 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
CYP3A4 P08684 4/20 0.41
NAMPT P43490 3/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL299744 0.91 CCR9 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL298324 0.88 CYP3A4 (0.47) SLC40A1KITHDAC3HDAC4HDAC1
SCHEMBL298650 0.87 BRAF (0.51) SLC40A1KITHDAC1HDAC8BRAF
SCHEMBL298860 0.87 CYP3A4 (0.54) KITBRAFFABP4FABP5CYP3A4
SCHEMBL298904 0.86 CYP3A4 (0.47) SLC40A1KITBRAFCYP3A4CYP2C9
SCHEMBL298047 0.83 BRAF (0.56) SLC40A1KITBRAFCYP3A4NAMPT
SCHEMBL298074 0.83 CLK1 (0.46) BRAFFABP4FABP5CYP3A4MAP2K1
SCHEMBL298469 0.82 ALDH1A1 (0.47) KITBRAFCCR9CYP3A4NAMPT
SCHEMBL298752 0.82 PAK1 (0.44) KITHDAC3HDAC4HDAC1HDAC7
SCHEMBL7877658 0.82 CYP3A4 (0.42) SLC40A1KITHDAC3HDAC4HDAC1

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 SLC40A1 3103/4885KIT 1330/4885HDAC3 2938/4885

“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.