SCHEMBL298650

SCHEMBL298650

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.51
TSHR P16473 1/20 0.50
CLK1 P49759 1/20 0.49
KMT2A Q03164 5/20 0.48
CKS1B P61024 2/20 0.47
SKP2 Q13309 2/20 0.47
HSD17B2 P37059 1/20 0.46
NTRK1 P04629 1/20 0.46
KIT P10721 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NAMPT P43490 1/20 0.43
CYP3A4 P08684 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 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
SCHEMBL298047 0.91 BRAF (0.56) BRAFKITSLC40A1NAMPTCYP3A4
SCHEMBL298860 0.89 CYP3A4 (0.54) BRAFKMT2AKITCYP3A4LMNA
SCHEMBL298904 0.88 CYP3A4 (0.47) BRAFKITSLC40A1CYP3A4SMN1; SMN2
SCHEMBL298315 0.88 CYP3A4 (0.49) BRAFTSHRCLK1KMT2AHSD17B2
SCHEMBL298424 0.87 SLC40A1 (0.48) BRAFNTRK1KITSLC40A1HDAC1
SCHEMBL298074 0.85 CLK1 (0.46) BRAFCLK1KMT2AMEN1CYP3A4
SCHEMBL298469 0.84 ALDH1A1 (0.47) BRAFTSHRKMT2AKITMEN1
SCHEMBL299744 0.83 CCR9 (0.51) BRAFNTRK1MAPTHDAC1HDAC8
SCHEMBL297485 0.81 ALK (0.49) NTRK1KITCYP3A4
SCHEMBL7869062 0.81 CYP3A4 (0.44) BRAFTSHRKMT2AHSD17B2NTRK1

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 BRAF 1/4885TSHR 2679/4885CLK1 1044/4885

“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.