SCHEMBL160112

SCHEMBL160112

CC(C)NC(=O)c1cc([O])cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.40
PRKCZ Q05513 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
CHRM4 P08173 1/20 0.35
MLYCD O95822 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 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
SCHEMBL159507 0.83 MEN1 (0.44) TP53ALDH1A1HPGDMAPK1LMNA
SCHEMBL163428 0.81 ALDH1A1 (0.45) TP53ALDH1A1HPGDMAPK1LMNA
SCHEMBL24669892 0.81 ALDH1A1 (0.65) TP53ALDH1A1HPGDMAPK1LMNA
SCHEMBL13631431 0.81 DAO (0.55) TP53ALDH1A1HPGDMAPK1LMNA
SCHEMBL163382 0.79 HSD17B10 (0.53) TP53ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL161466 0.79 ALDH1A1 (0.41) TP53ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27316571 0.76 S1PR1 (0.50) TP53ALDH1A1HPGDMAPK1LMNA
SCHEMBL15880584 0.75 MAPK1 (0.41) TP53ALDH1A1HPGDMAPK1LMNA
SCHEMBL161928 0.75 CTPS1 (0.43) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL162996 0.74 CA12 (0.43) TP53ALDH1A1HPGDMAPK1LMNA

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 TP53 2226/4885ALDH1A1 1667/4885HPGD 2718/4885

“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.