SCHEMBL10095641

SCHEMBL10095641

CCS(=O)(=O)Nc1ccc(-c2cc3ccc(OC)cc3n2C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BRPF1 P55201 1/20 0.41
PGR P06401 1/20 0.40
CASR P41180 1/20 0.39
MAPT P10636 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
HPGD P15428 3/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL10095643 0.89 PTGS2 (0.46) PLAUMTNR1AMTNR1BBRPF1PGR
SCHEMBL10095691 0.88 BRPF1 (0.39) MTNR1AMTNR1BBRPF1PGRMAPT
SCHEMBL10095523 0.83 MTNR1A (0.53) PLAUMTNR1AMTNR1BBRPF1PGR
SCHEMBL10095749 0.78 BRPF1 (0.49) PLAUBRPF1PGRMAPTGRIK1
SCHEMBL13152698 0.78 PLK4 (0.39) PLAUBRPF1CASRMAPTGRIK1
SCHEMBL10095926 0.77 NR1H2 (0.57)
SCHEMBL21735537 0.77 GRIK1 (0.51) MTNR1AMTNR1BCASRMAPTGRIK1
SCHEMBL10095642 0.76 BRPF1 (0.40) MTNR1AMTNR1BBRPF1PGRMAPT
SCHEMBL10095645 0.75 CYP11B2 (0.44) PLAUPGRCASRMAPTGRIK1
SCHEMBL10095603 0.75 BRPF1 (0.43) MTNR1AMTNR1BBRPF1PGRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 PLAU 4616/4885MTNR1A 198/4885MTNR1B 269/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PLAU 1119/4885MTNR1A 555/4885MTNR1B 489/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PLAU 238/4885MTNR1A 908/4885MTNR1B 827/4885

“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.