SCHEMBL10077372

SCHEMBL10077372

CCCCCC(=O)NC(CC(=O)NCC(C)(C)CNC(=O)C(O)C(COCc1ccc(OC)cc1)NC(=O)CCCCC)Cc1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.38
LPAR3 Q9UBY5 5/20 0.37
REN P00797 1/20 0.36
LPAR1 Q92633 4/20 0.35
MMEL1 Q495T6 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL10074154 0.93 ENPP2 (0.38) ENPP2LPAR3LPAR1HDAC1HDAC6
SCHEMBL10074987 0.92 ENPP2 (0.39) ENPP2LPAR3LPAR1HDAC1HDAC6
SCHEMBL10074455 0.92 ENPP2 (0.39) ENPP2LPAR3LPAR1HDAC1HDAC6
SCHEMBL10074135 0.88 CTSS (0.35) MMEL1
SCHEMBL10074143 0.86 CACNA1B (0.36) RENHDAC1HDAC6
SCHEMBL10077510 0.86 CACNA1B (0.36) RENHDAC1HDAC6
SCHEMBL10077061 0.86 CACNA1B (0.36) RENHDAC1HDAC6
SCHEMBL10075000 0.85 LPAR1 (0.36) ENPP2LPAR3LPAR1HDAC1HDAC6
SCHEMBL12291363 0.85 ENPP2 (0.41) ENPP2LPAR3LPAR1HDAC1HDAC6
SCHEMBL10074123 0.84 CACNA1B (0.35) ENPP2LPAR3RENHDAC1HDAC6

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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 ENPP2 134/4885LPAR3 2390/4885REN 449/4885

“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.