SCHEMBL164457

SCHEMBL164457

CC(C)CNC(=O)c1cc(O)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 4/20 0.44
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
IKBKE Q14164 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
SCHEMBL163382 0.83 HSD17B10 (0.53) GAAHSD17B10KMT2AHPGDRAB9A
SCHEMBL163821 0.82 ALDH1A1 (0.53) GAARAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL163428 0.79 ALDH1A1 (0.45) HPGDRAB9ASMN1; SMN2MLYCDALDH1A1
SCHEMBL162576 0.77 MEN1 (0.44) GAAHSD17B10KMT2AHPGDRAB9A
SCHEMBL159508 0.77 RAB9A (0.50) GAAHPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL7394651 0.72 RAB9A (0.63) GAAKMT2AHPGDRAB9ASMN1; SMN2
SCHEMBL163383 0.71 ALDH1A1 (0.40) GAAKMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL2908793 0.71 HSD17B10 (0.78) GAAHSD17B10KMT2AHPGDRAB9A
SCHEMBL28202712 0.71 KMT2A (0.45) GAAHSD17B10KMT2AHPGDRAB9A
SCHEMBL12164248 0.70 DAO (0.49) GAAHSD17B10KMT2ASMN1; SMN2ALDH1A1

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 GAA 131/4885HSD17B10 3364/4885KMT2A 2544/4885

“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.