SCHEMBL640978

SCHEMBL640978

CC(=O)NCC(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.58
MTNR1B P49286 6/20 0.58
GLS O94925 3/20 0.51
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.44
PTGFR P43088 3/20 0.43
BCAT2 O15382 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5435795 1.00 MTNR1A (0.58) MTNR1AMTNR1BGLSCYP2C19SMN1; SMN2
SCHEMBL4333359 0.85 CYP2C19 (0.52) CYP2C19SMN1; SMN2APAF1POLBPTGFR
SCHEMBL28290228 0.85 CYP2C19 (0.52) CYP2C19SMN1; SMN2APAF1POLBPTGFR
SCHEMBL8089702 0.84 MTNR1A (0.43) MTNR1AMTNR1BGLSSMN1; SMN2POLB
SCHEMBL5370889 0.84 MTNR1A (0.54) MTNR1AMTNR1BGLSCYP2C19
SCHEMBL2091812 0.82 MTNR1A (0.67) MTNR1AMTNR1BAPAF1BCAT2NPC1
SCHEMBL6655475 0.82 MTNR1A (0.51) MTNR1AMTNR1BGLSSMN1; SMN2
SCHEMBL6209721 0.81 BCAT2 (0.66) CYP2C19SMN1; SMN2APAF1POLBPTGFR
SCHEMBL11480585 0.81 TAAR1 (0.52) CYP2C19SMN1; SMN2APAF1POLB
SCHEMBL11436581 0.81 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2APAF1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 MTNR1A 178/4885MTNR1B 285/4885GLS 1943/4885

“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.