SCHEMBL162865

SCHEMBL162865

CCC(C)NC(=O)c1cc([O])co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
STAT1 P42224 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL162633 0.83 NPC1 (0.38) CYP1A2TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL163823 0.76 MAPK1 (0.37) KMT2AMAPK1ALDH1A1MMP1MMP2
SCHEMBL161806 0.75 HTT (0.49) CYP1A2CYP2C9TSHRKMT2AMEN1
SCHEMBL162779 0.73 POLB (0.53) CYP1A2CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL163909 0.73 KDM4E (0.36) TSHRSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL21041221 0.72 KMT2A (0.68) KMT2AMEN1SMN1; SMN2PKMALDH1A1
SCHEMBL2913713 0.71 MAPK1 (0.67) CYP1A2CYP2C9TSHRKMT2AMEN1
SCHEMBL15204281 0.70 RAB9A (0.47) CYP1A2CYP2C9TSHRKMT2AMEN1
SCHEMBL159628 0.70 MEN1 (0.43) CYP1A2CYP2C9TSHRKMT2AMEN1
SCHEMBL162734 0.69 RAB9A (0.43) CYP1A2CYP2C9TSHRKMT2AMEN1

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 CYP1A2 4010/4885CYP2C9 3870/4885TSHR 4862/4885

“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.