SCHEMBL18806498

SCHEMBL18806498

C=C1N=C(NC(=O)OCc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)c3ccncc3)cc2)C=CN1C1OC(CO)C(O)C1(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 6/20 0.36
▸ FAP Q12884 4/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ RCOR1 Q9UKL0 1/20 0.31

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
SCHEMBL18806504 0.91 PREP (0.42) PREPFAPDPP8DPP9
SCHEMBL18821554 0.83 PDE4D (0.38) PREPFAPDPP8DPP9HSD17B10
SCHEMBL25963274 0.78 SMN1; SMN2 (0.33) CYP2C9CYP2C19CYP2D6
SCHEMBL17348511 0.73 PREP (0.43) PREPFAPDPP8DPP9
SCHEMBL23801822 0.73 PREP (0.36) PREPFAPDPP8DPP9
SCHEMBL18821555 0.67 PREP (0.36) PREPFAPDPP8DPP9
SCHEMBL23502308 0.67 PREP (0.36) PREPFAPDPP8DPP9
SCHEMBL18821553 0.67 PREP (0.36) PREPFAPDPP8DPP9
SCHEMBL18806493 0.67 KCNH2 (0.33) PREPFAPDPP8DPP9HSD17B10
SCHEMBL18806536 0.66 PREP (0.36) PREPFAPDPP8DPP9

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-20170119901-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2017-05-04 — — 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-20170119901-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, FAH PREP 61/4885FAP 1/4885DPP8 29/4885

“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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