SCHEMBL1347826

SCHEMBL1347826

CCOP(=O)(CC(=O)c1nc2ccccc2s1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 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
SCHEMBL6647582 0.78 RAB9A (0.67) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12548965 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3401020 0.76 MAPK1 (0.64) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL15699765 0.75 MAPT (0.52) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1347633 0.75 HDAC3 (0.50) RAB9ACNR1CNR2
SCHEMBL211598 0.75 ALDH1A1 (0.69) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL19043117 0.73 DRD2 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL21207308 0.73 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL23617613 0.73 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10009486 0.72 MAPT (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063240-B2 Prostaglandin E1 and E2 analogs for the treatment of various medical conditions CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2011-11-22 US disclosed
US-20090221654-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-09-03 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 (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-20090221654-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS PTGER1, PTGER4, PTGER2 NPC1 3569/4885RAB9A 869/4885SMN1; SMN2 2394/4885

“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.