SCHEMBL10095646

SCHEMBL10095646

CCOc1ccc2cc(-c3ccc(NS(=O)(=O)CC)cc3)n(C3CCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
BRPF1 P55201 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
AR P10275 1/20 0.37
PGR P06401 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ABL1 P00519 1/20 0.35
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL10095644 0.92 LMNA (0.44) ALDH1A1LMNAHTTMAPTPOLB
SCHEMBL10095603 0.82 BRPF1 (0.43) ALDH1A1BRPF1LMNAHTTMAPT
SCHEMBL10096129 0.81 NPC1 (0.58) LMNAMAPTKMT2AMEN1HPGD
SCHEMBL10096018 0.81 CYP1A2 (0.41) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL13151683 0.80 PIK3CA (0.36) ALDH1A1LMNAHTTMAPTPOLB
SCHEMBL10096101 0.79 KMT2A (0.40) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL10095642 0.78 BRPF1 (0.40) ALDH1A1BRPF1LMNAHTTMAPT
SCHEMBL13151989 0.78 PLK4 (0.36) ALDH1A1LMNAHTTMAPTPOLB
SCHEMBL10095650 0.78 CYP11B2 (0.41) ALDH1A1LMNAHTTMAPTPOLB
SCHEMBL10096505 0.76 CYP11B2 (0.39) ALDH1A1LMNAHTTMAPTPOLB

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 ALDH1A1 1556/4885BRPF1 2973/4885LMNA 4373/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885BRPF1 3670/4885LMNA 3101/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885BRPF1 2598/4885LMNA 4367/4885

“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.