SCHEMBL163382

SCHEMBL163382

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 4/20 0.44
KDM4E B2RXH2 2/20 0.41
MLYCD O95822 1/20 0.41
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 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
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL164457 0.83 GAA (0.49) HSD17B10GAAKMT2AHPGDKDM4E
SCHEMBL163820 0.82 ALDH1A1 (0.49) GAARAB9ALMNASMN1; SMN2NPC1
SCHEMBL163427 0.79 SMN1; SMN2 (0.42) GAAHPGDKDM4ERAB9ALMNA
SCHEMBL160112 0.79 TP53 (0.45) HPGDMLYCDRAB9ALMNAPOLB
SCHEMBL159507 0.77 MEN1 (0.44) HSD17B10GAAKMT2AHPGDKDM4E
SCHEMBL162575 0.77 SMN1; SMN2 (0.53) GAAHPGDKDM4ERAB9AHTT
SCHEMBL161466 0.76 ALDH1A1 (0.41) HSD17B10GAAKMT2AHPGDKDM4E
SCHEMBL2908793 0.75 HSD17B10 (0.78) HSD17B10GAAKMT2AHPGDKDM4E
SCHEMBL7394651 0.72 RAB9A (0.63) GAAKMT2AHPGDKDM4ERAB9A
SCHEMBL164456 0.71 ALDH1A1 (0.40) GAAKMT2AHPGDKDM4ELMNA

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 HSD17B10 3364/4885GAA 131/4885KMT2A 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.