SCHEMBL18307318

SCHEMBL18307318

CC(C)NC(=O)N[C@@H](CCCCNC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.62
▸ EPHX2 P34913 1/20 0.53
▸ ITGB3 P05106 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ CPB1 P15086 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.51
▸ ANPEP P15144 1/20 0.49
▸ EPHX1 P07099 1/20 0.49

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
SCHEMBL18308653 0.89 FOLH1 (0.60) FOLH1EPHX2ITGB3ITGAVCPB1
SCHEMBL15107348 0.88 FOLH1 (0.78) FOLH1
SCHEMBL18307317 0.88 FOLH1 (0.52) FOLH1
SCHEMBL17190068 0.85 FOLH1 (0.58) FOLH1EPHX2ITGB3ITGAVCPB1
SCHEMBL18307319 0.83 FOLH1 (0.61) FOLH1EPHX1
SCHEMBL12193062 0.81 ATM (0.68) FOLH1EPHX2ANPEPEPHX1
SCHEMBL15107349 0.79 FOLH1 (0.78) FOLH1
SCHEMBL15739460 0.79 FOLH1 (0.69) FOLH1
SCHEMBL12252067 0.78 MAPT (0.69) ANPEPEPHX1
SCHEMBL8853611 0.78 ALDH1A1 (0.56) FOLH1CPB1CPB2ANPEP

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-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2016-12-15 — — US disclosed
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (IN) 2016-12-15 — — 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 (2 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-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 FOLH1 1/4885EPHX2 1280/4885ITGB3 271/4885
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 FOLH1 1/4885EPHX2 1280/4885ITGB3 271/4885

“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.

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