SCHEMBL17192152

SCHEMBL17192152

N#Cc1cc(-c2ccc(Br)s2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.47
HSD17B1 P14061 5/20 0.45
HSD17B2 P37059 5/20 0.45
BACE1 P56817 4/20 0.38
CNR2 P34972 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PGR P06401 5/20 0.36
FLT3 P36888 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35

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
SCHEMBL9965314 0.81 HSD17B1 (0.45) HSD17B1HSD17B2BACE1CNR2CYP11B1
SCHEMBL12310483 0.78 HSD17B1 (0.43) HSD17B1HSD17B2BACE1CNR2PGR
SCHEMBL1872343 0.78 FLT3 (0.41) HSD17B1HSD17B2BACE1CNR2CYP11B1
SCHEMBL12310278 0.77 HSD17B1 (0.43) HSD17B1HSD17B2BACE1CNR2CYP11B1
SCHEMBL12128119 0.77 MAPT (0.47) HSD17B1HSD17B2BACE1CNR2PGR
SCHEMBL9965313 0.77 HSD17B1 (0.43) HSD17B1HSD17B2BACE1CNR2PGR
SCHEMBL3954195 0.77 S1PR1 (0.42) HSD17B1HSD17B2BACE1CYP11B1CYP11B2
SCHEMBL1874904 0.74 SNCA (0.51) SNCABACE1CNR2CYP11B1CYP11B2
SCHEMBL12402848 0.74 HSD17B1 (0.53) SNCAHSD17B1HSD17B2
SCHEMBL12673461 0.74 HSD17B1 (0.40) HSD17B1HSD17B2BACE1CNR2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 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-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 SNCA 2492/4885HSD17B1 1410/4885HSD17B2 1780/4885

“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.