SCHEMBL18308653

SCHEMBL18308653

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.60
▸ EPHX2 P34913 1/20 0.55
▸ ITGB3 P05106 2/20 0.52
▸ ITGAV P06756 2/20 0.52
▸ EPHX1 P07099 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TLR2 O60603 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ANPEP P15144 1/20 0.47
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL18307318 0.89 FOLH1 (0.62) FOLH1EPHX2ITGB3ITGAVEPHX1
SCHEMBL18308654 0.88 FOLH1 (0.51) FOLH1ITGB3ITGAVALDH1A1LMNA
SCHEMBL15107348 0.86 FOLH1 (0.78) FOLH1
SCHEMBL17190068 0.86 FOLH1 (0.58) FOLH1EPHX2ITGB3ITGAVEPHX1
SCHEMBL12193062 0.82 ATM (0.68) FOLH1EPHX2EPHX1ATMANPEP
SCHEMBL14063688 0.82 FOLH1 (0.59) FOLH1
SCHEMBL22300022 0.80 FOLH1 (0.63) FOLH1
SCHEMBL11207354 0.79 ALDH1A1 (0.56) FOLH1ALDH1A1TLR2ATMANPEP
SCHEMBL8853611 0.79 ALDH1A1 (0.56) FOLH1ALDH1A1TLR2ATMANPEP
SCHEMBL22299972 0.78 ALB (0.54) FOLH1EPHX2ITGB3ITGAVALDH1A1

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-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (IN) 2016-12-15 — — US disclosed
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 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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