SCHEMBL402828

SCHEMBL402828

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
USP28 Q96RU2 6/20 0.60
SMO Q99835 4/20 0.60
ALB P02768 1/20 0.60
HTR1A P08908 1/20 0.60
SLC6A2 P23975 1/20 0.60
PDE4A P27815 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.60
PDE4D Q08499 1/20 0.60
SHH Q15465 1/20 0.60
SLC29A1 Q99808 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
BRAF P15056 1/20 0.55

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
SCHEMBL403822 0.90 TSHR (0.67) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL15095262 0.88 MAPT (0.69) USP28SMOALBHTR1ASLC6A2
SCHEMBL398150 0.79 TSHR (0.66) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL4965181 0.79 TSHR (0.71) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL10238306 0.78 MAPT (0.65) SMOMEN1KMT2ANPC1RAB9A
SCHEMBL2854355 0.77 BRAF (0.69) TSHRMEN1KMT2ARAB9ABRAF
SCHEMBL28899120 0.75 SMO (0.68) USP28SMOALBHTR1ASLC6A2
Vismodegib SCHEMBL29394718 0.75 USP28 (1.00) USP28SMOALBHTR1ASLC6A2
Vismodegib SCHEMBL302587 0.75 USP28 (1.00) USP28SMOALBHTR1ASLC6A2
Vismodegib SCHEMBL29352323 0.75 USP28 (1.00) USP28SMOALBHTR1ASLC6A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO TSHR 926/4885USP28 1666/4885SMO 3/4885

“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.