SCHEMBL5862745

SCHEMBL5862745

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nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8407475 1.00 ADH1B (0.38) ADH1BADH1CADH1AMAPTTSHR
SCHEMBL7164958 0.90 PIK3CD (0.35)
SCHEMBL7164955 0.90 PIK3CD (0.35)
SCHEMBL11532323 0.83 ADH1C (0.45) ADH1BADH1CADH1AMAPTTSHR
SCHEMBL27572793 0.82 TSHR (0.49) ADH1BADH1CADH1AMAPTTSHR
SCHEMBL5980151 0.82 TSHR (0.49) ADH1BADH1CADH1AMAPTTSHR
SCHEMBL9462834 0.81 ADH1B (0.42) ADH1BADH1CADH1AMAPTTSHR
SCHEMBL9144390 0.79 GRM2 (0.37) ADH1BADH1CADH1A
SCHEMBL27786645 0.79 S1PR1 (0.35) MAPTALDH1A1
SCHEMBL601670 0.79 FDPS (0.45) ADH1BADH1CADH1ATSHRALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132418-B2 Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 US disclosed
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 US disclosed
US-6469036-B1 PREVENTION AND TREATMENT OF INFLAMMATORY DISEASES ASSOCIATED WITH THE RESPIRATORY TRACT, SUCH AS ASTHMA AND ALLERGIC RHINITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-22 US disclosed
EP-0885897-B1 Optically active diphosphine ligands BASF AG (DE) 2002-08-21 EP disclosed
EP-1147097-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-24 EP disclosed
WO-2000044733-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-03 WO disclosed
US-5990320-A Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
EP-0885897-A1 Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP 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-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors CMA1, TPSB2, TPSAB1 ADH1B 1986/4885ADH1C 1771/4885ADH1A 3011/4885

“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.