SCHEMBL9890698

SCHEMBL9890698

COC(=O)C(O)c1ccccc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL22939 0.86 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL29572218 0.86 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL29572016 0.86 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL3685278 0.86 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL253615 0.86 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL31506886 0.86 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL9890693 0.84 NR3C2 (0.44) CASP1LMNAHPGDCASP3SMN1; SMN2
Methylene Chloride SCHEMBL28084097 0.82 CASP1 (0.56) CASP1HTTALDH1A1NPC1KMT2A
SCHEMBL9890656 0.81 CES2 (0.42) LMNAALDH1A1KMT2AMAPTNPSR1
SCHEMBL9890691 0.80 KCNA5 (0.46) CASP1ALDH1A1HSP90AA1HSP90AB1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US 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 (2 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CASP1 1759/4885AKR1C3 191/4885AKR1C2 459/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CASP1 1759/4885AKR1C3 191/4885AKR1C2 459/4885

“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.