SCHEMBL22958138

SCHEMBL22958138

CC(C)(C)Cc1ccc(CNC(=O)NCCCCC[C@H](NC(N)=O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.47
▸ ITGB3 P05106 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ TLR2 O60603 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ NPY1R P25929 2/20 0.41
▸ ALB P02768 2/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL19351729 0.99 FOLH1 (0.48) FOLH1ITGB3ITGAVTGM2NPY1R
SCHEMBL23424692 0.89 FOLH1 (0.56) FOLH1ITGB3ITGAVTLR2
SCHEMBL24491163 0.86 FOLH1 (0.64) FOLH1
SCHEMBL24491164 0.86 FOLH1 (0.64) FOLH1
SCHEMBL17190068 0.85 FOLH1 (0.58) FOLH1ITGB3ITGAVTLR2NPY1R
SCHEMBL23974147 0.85 FOLH1 (0.57) FOLH1
SCHEMBL22958139 0.84 FOLH1 (0.48) FOLH1ITGB3ITGAV
SCHEMBL19442790 0.84 FOLH1 (0.51) FOLH1ITGB3ITGAVALB
SCHEMBL15739345 0.83 FOLH1 (0.49) FOLH1ITGB3ITGAV
SCHEMBL17190070 0.81 FOLH1 (0.48) FOLH1ITGB3ITGAVTGM2

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-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2021-02-09 — — 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-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells FOLH1, KLK3, CD47 FOLH1 1/4885ITGB3 271/4885ITGAV 473/4885

“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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