SCHEMBL19003788

SCHEMBL19003788

CC(C)(C)[S+]([O-])N[C@H](c1cnc(N)s1)c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LIMK1 P53667 1/20 0.34
CYP2C19 P33261 1/20 0.33
MAPK14 Q16539 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
HIF1A Q16665 1/20 0.31
BLM P54132 1/20 0.30
GCKR Q14397 1/20 0.30

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
SCHEMBL10110203 1.00 HPGD (0.35) HPGDHSD17B10LIMK1CYP2C19MAPK14
SCHEMBL10110202 1.00 HPGD (0.35) HPGDHSD17B10LIMK1CYP2C19MAPK14
SCHEMBL14145836 0.87 ALDH1A1 (0.32)
SCHEMBL14145835 0.87 ALDH1A1 (0.32)
SCHEMBL10110200 0.87 P2RX7 (0.33) HPGDHSD17B10CYP2C19ADRB2ADRB1
SCHEMBL12536145 0.87 HPGD (0.37) HPGDHSD17B10LIMK1CYP2C19MAPK14
SCHEMBL1691110 0.87 MDM2 (0.34)
SCHEMBL1690724 0.87 MDM2 (0.34)
SCHEMBL16678115 0.87 MDM2 (0.34)
SCHEMBL1690721 0.87 MDM2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 US 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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B HPGD 1024/4885HSD17B10 2257/4885LIMK1 3868/4885

“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.