SCHEMBL164968

SCHEMBL164968

CCC(C)NC(=O)c1cccc([O])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 1/20 0.60
ATM Q13315 1/20 0.52
ACACB O00763 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAMPT P43490 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL164969 0.84 ALDH1A1 (0.60) ALDH1A1RAB9AATMACACBKMT2A
SCHEMBL14359497 0.84 ATM (0.73) ALDH1A1RAB9AATMACACBKMT2A
SCHEMBL165800 0.83 NPSR1 (0.61) ALDH1A1ATMKMT2AHPGDLMNA
SCHEMBL31396725 0.83 ALDH1A1 (0.59) ALDH1A1RAB9AATMACACBKMT2A
SCHEMBL8737626 0.83 HPGD (0.72) ALDH1A1RAB9AATMACACBKMT2A
SCHEMBL18176014 0.83 ALDH1A1 (0.59) ALDH1A1RAB9AATMACACBKMT2A
SCHEMBL12852605 0.81 ALDH1A1 (0.57) ALDH1A1RAB9AATMACACBKMT2A
SCHEMBL799431 0.81 RAB9A (0.87) ALDH1A1RAB9AKMT2AMEN1HPGD
SCHEMBL8526512 0.81 RAB9A (0.87) ALDH1A1RAB9AKMT2AMEN1HPGD
SCHEMBL8507346 0.81 RAB9A (0.87) ALDH1A1RAB9AKMT2AMEN1HPGD

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 ALDH1A1 1667/4885RAB9A 3460/4885ATM 2894/4885

“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.