SCHEMBL18806547

SCHEMBL18806547

COC(=O)[C@@H](CC(=O)[C@@H]1CCCN1C(=O)C(C)C)CC1=CCC=N1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.34
▸ REN P00797 3/20 0.34
▸ LTA4H P09960 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ACE2 Q9BYF1 6/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PEPD P12955 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18806524 0.92 DPP4 (0.34) ACERENLTA4HTSHRACE2
SCHEMBL18821682 0.70 TRHR (0.49) ACERENLTA4HPEPD
SCHEMBL18821683 0.68 TRHR (0.45) ACEHRH1
SCHEMBL13921121 0.65 PEPD (0.54) ACERENLTA4HACE2LMNA
SCHEMBL20471043 0.65 PEPD (0.54) ACERENLTA4HACE2LMNA
SCHEMBL17040270 0.65 PEPD (0.54) ACERENLTA4HACE2LMNA
SCHEMBL17792719 0.65 ACE (0.50) ACERENLTA4HACE2LMNA
SCHEMBL25802084 0.62 ACE (0.44) ACERENLTA4HACE2LMNA
SCHEMBL17208363 0.62 FKBP1A (0.53) ACERENLTA4HACE2LMNA
SCHEMBL24340316 0.61 FKBP1A (0.54) ACERENLTA4HACE2LMNA

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 ACE 197/4885REN 2056/4885LTA4H 471/4885

“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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