SCHEMBL14440108

SCHEMBL14440108

COCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.52
▸ ACE P12821 4/20 0.51
▸ PRCP P42785 1/20 0.49
▸ ACE2 Q9BYF1 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CMA1 P23946 1/20 0.46
▸ CTRB1 P17538 1/20 0.45
▸ P2RX7 Q99572 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44

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
SCHEMBL8434226 0.95 REN (0.56) RENACEPRCPACE2ALDH1A1
SCHEMBL8451995 0.95 REN (0.56) RENACEPRCPACE2ALDH1A1
SCHEMBL13533687 0.87 PRCP (0.63) RENACEPRCPACE2CMA1
SCHEMBL14440148 0.87 REN (0.52) RENACEACE2ALDH1A1CMA1
SCHEMBL8257154 0.87 REN (0.52) RENACEACE2CMA1CTRB1
SCHEMBL8256761 0.84 ACE (0.69) RENACEACE2TSHR
SCHEMBL7337615 0.84 ITGB3 (0.58) RENACEPRCPCMA1MAPT
SCHEMBL7402728 0.84 ACE (0.55) RENACEPRCPACE2CTRB1
SCHEMBL7402735 0.84 ACE (0.55) RENACEPRCPACE2CTRB1
SCHEMBL8265581 0.83 REN (0.59) RENACEACE2ALDH1A1CMA1

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-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 — — 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-20070185060-A1 Boronic acid thrombin inhibitors F2, ECE1, BCAT1 REN 1635/4885ACE 230/4885PRCP 1035/4885

“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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