SCHEMBL2114201

SCHEMBL2114201

CC(C)Cc1csc2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
CA2 P00918 2/20 0.51
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2A6 P11509 3/20 0.39
PTGER1 P34995 1/20 0.39
TP53 P04637 4/20 0.38
THRB P10828 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL2114297 0.81 CA2 (0.55) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL6003503 0.81 MTNR1A (0.60) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL10442551 0.80 CYP2A6 (0.63) CA2MAPTLMNAMEN1HPGD
SCHEMBL12304058 0.80 CYP2A6 (0.63) CA2MAPTCYP2A6PTGER1TP53
SCHEMBL8435339 0.78 MTNR1A (0.61) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL8274633 0.77 CA2 (0.55) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL7146984 0.77 CA2 (0.55) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL4605763 0.77 CYP2A6 (0.64) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL2093816 0.77 CA2 (0.55) MTNR1AMTNR1BCA2MAPTLMNA
SCHEMBL8435459 0.75 MTNR1A (0.58) MTNR1AMTNR1BCA2MAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 MTNR1A 568/4885MTNR1B 961/4885CA2 17/4885

“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.