SCHEMBL3486030

SCHEMBL3486030

C[S+]([O-])c1c(-c2ccc(OC(F)(F)F)cc2)n(CC(=O)NC(C)(C)C)c2ccc(C(C)(C)C(=O)NC(C)(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.47
CACNA1B Q00975 4/20 0.45
SERPINE1 P05121 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL13435512 0.91 NR1I2 (0.46) NR1I2CACNA1BHPGDSMN1; SMN2NPC1
SCHEMBL3485598 0.85 NR1I2 (0.49) NR1I2CACNA1BSERPINE1HPGDSMN1; SMN2
SCHEMBL13401210 0.84 NR1I2 (0.48) NR1I2CACNA1BSERPINE1HPGDSMN1; SMN2
SCHEMBL3486330 0.84 NR1I2 (0.48) NR1I2CACNA1BSERPINE1HPGDSMN1; SMN2
SCHEMBL3486182 0.84 NR1I2 (0.52) NR1I2CACNA1BSERPINE1HPGDSMN1; SMN2
SCHEMBL3485683 0.78 NR1I2 (0.74) NR1I2CACNA1BSERPINE1HPGDSMN1; SMN2
SCHEMBL13435719 0.75 NR1I2 (0.48) NR1I2CACNA1BHPGDSMN1; SMN2NPC1
SCHEMBL13435657 0.75 NR1I2 (0.51) NR1I2CACNA1BHPGDSMN1; SMN2NPC1
SCHEMBL13435715 0.75 NR1I2 (0.47) NR1I2CACNA1BSMN1; SMN2NPC1GAA
SCHEMBL8144031 0.72 NR1I2 (0.67) NR1I2CACNA1BSMN1; SMN2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 NR1I2 1761/4885CACNA1B 13/4885SERPINE1 2357/4885

“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.