SCHEMBL5665657

SCHEMBL5665657

NCOc1cccc(B(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.58
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AGXT P21549 2/20 0.46
MGLL Q99685 2/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
F11 P03951 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL8553 0.81 ENPP2 (0.63) ENPP2KDM4EALDH1A1MGLLLPL
SCHEMBL138904 0.81 ENPP2 (0.58) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL2557753 0.80 ENPP2 (0.53) ENPP2KDM4EALDH1A1MGLLLPL
SCHEMBL4508412 0.79 ENPP2 (0.56) ENPP2KDM4EALDH1A1MGLL
SCHEMBL28352473 0.79 ENPP2 (0.56) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL17315528 0.79 ENPP2 (0.51) ENPP2KDM4EALDH1A1
SCHEMBL9502972 0.79 AGXT (0.60) ALDH1A1AGXTCA1CA2
SCHEMBL2549318 0.78 ENPP2 (0.65) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL2554457 0.78 ENPP2 (0.55) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL7992 0.78 ENPP2 (0.59) ENPP2KDM4EALDH1A1LPLLIPG

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
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 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-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 ENPP2 643/4885KDM4E 2965/4885ALDH1A1 2137/4885

“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.