SCHEMBL17349999

SCHEMBL17349999

CCCCCCC(=O)N[C@H]1Cc2cccc(C(=O)OCC)c2OB1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ TSHR P16473 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NAAA Q02083 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL17349774 0.99 NAMPT (0.37) NAMPTCNR1CNR2TSHRALDH1A1
SCHEMBL17349754 0.96 TSHR (0.36) NAMPTCNR2TSHRALDH1A1CA12
SCHEMBL17337678 0.92 MTNR1A (0.39) CNR2TSHRALDH1A1LMNAKDM4E
SCHEMBL17337676 0.92 MTNR1A (0.39) CNR2TSHRALDH1A1LMNAKDM4E
SCHEMBL18966596 0.91 ALDH1A1 (0.46) NAMPTCNR1CNR2TSHRALDH1A1
SCHEMBL17349764 0.91 ALDH1A1 (0.41) NAMPTCNR1CNR2ALDH1A1CA12
SCHEMBL17349983 0.91 NAMPT (0.36) NAMPTCNR1CNR2TSHRALDH1A1
SCHEMBL17337390 0.90 TSHR (0.35) CNR2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL17337392 0.90 TSHR (0.35) CNR2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL18966850 0.90 TSHR (0.44) NAMPTCNR1CNR2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — 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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA NAMPT 808/4885CNR1 3575/4885CNR2 4108/4885

“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.

Send feedback