SCHEMBL163634

SCHEMBL163634

CC(C)(C)NC(=O)c1cc([O])c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
ALPL P05186 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
BRD4 O60885 1/20 0.37
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
SYK P43405 2/20 0.33
NPC1 O15118 1/20 0.33
IMPDH2 P12268 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL18415315 0.80 LMNA (0.40) CREBBPALPLPOLBAPEX1BRD4
SCHEMBL22328224 0.79 CREBBP (0.39) CREBBPALPLPOLBAPEX1BRD4
SCHEMBL164296 0.79 CREBBP (0.63) CREBBPBRD4CCNCCDK8KDM4E
SCHEMBL161465 0.74 ADORA3 (0.43) CREBBPALPLBRD4GRNSORT1
SCHEMBL163704 0.74 BRD4 (0.44) CREBBPPOLBBRD4KDM4EALDH1A1
SCHEMBL160110 0.71 PKM (0.52) CREBBPPOLBBRD4KDM4EALDH1A1
SCHEMBL162195 0.70 ALDH1A1 (0.38) ALDH1A1GAANPC1
SCHEMBL163955 0.70 HSD17B10 (0.47) ALPLKDM4EALDH1A1GAAHPGD
SCHEMBL12867808 0.69 ALOX15 (0.48) ALPLPOLBAPEX1BRD4KDM4E
SCHEMBL162430 0.69 DRD2 (0.50) POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (1 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 CREBBP 3912/4885ALPL 4435/4885POLB 690/4885

“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.