SCHEMBL2965820

SCHEMBL2965820

COC(=O)CCSc1ncccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 8/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NFKB1 P19838 4/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
SLC22A12 Q96S37 1/20 0.43
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL2964192 0.79 KDM4E (0.41) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL15315500 0.75 RAB9A (0.46) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL31446400 0.74 ALDH1A1 (0.47) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL31200835 0.74 ALDH1A1 (0.47) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL24304036 0.73 MAPT (0.62) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL30697697 0.71 CXCR2 (0.38) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL26119745 0.71 CXCR2 (0.38) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL7028044 0.71 SLC22A12 (0.41) ALDH1A1HPGDTSHRRAB9AKDM4E
SCHEMBL8776853 0.71 ALDH1A1 (0.64) ALDH1A1HPGDRAB9AKDM4EMAPT
SCHEMBL30968888 0.70 HPGD (0.42) ALDH1A1HPGDTSHRRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885HPGD 1026/4885TSHR 449/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885HPGD 1026/4885TSHR 449/4885
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS ALDH1A1 227/4885HPGD 1921/4885TSHR 4487/4885

“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.