SCHEMBL14768487

SCHEMBL14768487

CCC(C)(CC)c1ccc2scnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
TRPM5 Q9NZQ8 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK2 O43353 4/20 0.36
LCK P06239 3/20 0.36
KDR P35968 3/20 0.36
TGFBR1 P36897 3/20 0.36
PTK6 Q13882 1/20 0.35
FFAR1 O14842 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
ESR1 P03372 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL13265535 0.87 ALDH1A1 (0.40) ALDH1A1HSD17B10SMN1; SMN2TRPM5MAPK1
SCHEMBL10235035 0.87 RAB9A (0.42) ALDH1A1HSD17B10SMN1; SMN2NPSR1KDR
SCHEMBL761133 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10SMN1; SMN2TRPM5MAPK1
SCHEMBL6090347 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10SMN1; SMN2TRPM5MAPK1
SCHEMBL24037602 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10SMN1; SMN2TRPM5MAPK1
SCHEMBL25768089 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10SMN1; SMN2TRPM5MAPK1
SCHEMBL22142342 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10SMN1; SMN2TRPM5MAPK1
SCHEMBL23075781 0.77 FFAR1 (0.39) ALDH1A1SMN1; SMN2MAPK1NPSR1RIPK2
SCHEMBL30375905 0.75 NPC1 (0.47) ALDH1A1HSD17B10NTRK1NTRK2ESR1
SCHEMBL1538312 0.75 NPC1 (0.47) ALDH1A1HSD17B10NTRK1NTRK2ESR1

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-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 ALDH1A1 1104/4885HSD17B10 2729/4885SMN1; SMN2 832/4885

“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.