SCHEMBL10192115

SCHEMBL10192115

CCCS(=O)(=O)Nc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
BRD4 O60885 3/20 0.50
AURKA O14965 1/20 0.49
KDR P35968 1/20 0.49
AURKB Q96GD4 1/20 0.49
HPGD P15428 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LRRK2 Q5S007 1/20 0.46
LMNA P02545 2/20 0.46
KIT P10721 1/20 0.44

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
SCHEMBL14583304 0.90 BRD4 (0.52) SMN1; SMN2TP53BRD4AURKAKDR
SCHEMBL10191952 0.87 HPGD (0.53) SMN1; SMN2BRD4HPGDCYP3A4CYP2C9
SCHEMBL9888711 0.87 HPGD (0.58) SMN1; SMN2TP53BRD4AURKAKDR
SCHEMBL21686866 0.83 HTT (0.49) SMN1; SMN2TP53HPGDCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL21633747 0.83 HPGD (0.47) SMN1; SMN2TP53HPGDCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL30763397 0.83 HPGD (0.47) SMN1; SMN2TP53HPGDCYP3A4CYP2C9
SCHEMBL6936465 0.82 HPGD (0.51) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL21915951 0.82 HPGD (0.46) SMN1; SMN2TP53BRD4HPGDCYP3A4
SCHEMBL10191948 0.82 HPGD (0.46) SMN1; SMN2TP53HPGDCYP3A4CYP2C9
SCHEMBL3267704 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TP53BRD4AURKAKDR

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-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (7 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 SMN1; SMN2 4841/4885TP53 1182/4885BRD4 558/4885
US-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 SMN1; SMN2 4410/4885TP53 102/4885BRD4 5/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS SMN1; SMN2 4206/4885TP53 1579/4885BRD4 1149/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS SMN1; SMN2 4525/4885TP53 3022/4885BRD4 1610/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885TP53 1262/4885BRD4 1478/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885TP53 1262/4885BRD4 1478/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 SMN1; SMN2 4410/4885TP53 102/4885BRD4 5/4885

“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.