SCHEMBL10097376

SCHEMBL10097376

CCCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OCCF)cc3n2CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
SGK1 O00141 1/20 0.41
KIT P10721 4/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLK4 O00444 1/20 0.35
DCLK1 O15075 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 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
SCHEMBL10249318 0.95 PLK4 (0.40) ARSGK1KITCA12CA1
SCHEMBL10249433 0.94 SGK1 (0.36) ARSGK1KITCA12CA1
SCHEMBL10252757 0.92 PLK4 (0.37) ARSGK1KITNPC1RAB9A
SCHEMBL10249405 0.88 NPC1 (0.42) ARNPC1RAB9AHPGDPLK4
SCHEMBL13151808 0.88 AR (0.40) ARSGK1KITCA12CA1
SCHEMBL10096254 0.87 AR (0.39) ARSGK1KITCA12CA1
SCHEMBL13151741 0.86 SGK1 (0.41) ARSGK1KITHPGDALDH1A1
SCHEMBL13151765 0.85 BRD4 (0.35) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL10252484 0.85 PLK4 (0.40) ARSGK1KITCA12CA1
SCHEMBL10097619 0.85 HRH3 (0.45) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS AR 4848/4885SGK1 4291/4885KIT 3397/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS AR 3781/4885SGK1 2038/4885KIT 1858/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AR 4702/4885SGK1 3570/4885KIT 3684/4885

“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.