SCHEMBL162576

SCHEMBL162576

CCC(C)NC(=O)c1cc(O)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.43
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.40

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 0.84 MEN1 (0.44) MEN1KMT2ASMN1; SMN2PKMMAPK1
SCHEMBL163428 0.83 ALDH1A1 (0.45) SMN1; SMN2MAPK1RAB9AALDH1A1LMNA
SCHEMBL164457 0.77 GAA (0.49) KMT2ASMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL163821 0.76 ALDH1A1 (0.53) SMN1; SMN2MAPK1RAB9AALDH1A1CYP1A2
SCHEMBL2913713 0.71 MAPK1 (0.67) MEN1KMT2ASMN1; SMN2PKMMAPK1
SCHEMBL159508 0.71 RAB9A (0.50) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL24568381 0.71 ACACB (0.55) MEN1KMT2ASMN1; SMN2PKMMAPK1
SCHEMBL162786 0.70 MEN1 (0.43) MEN1KMT2ASMN1; SMN2PKMMAPK1
SCHEMBL163383 0.69 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL15204487 0.69 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2PKMMAPK1

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 MEN1 4776/4885KMT2A 2544/4885SMN1; SMN2 1/4885

“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.