SCHEMBL6016754

SCHEMBL6016754

CCCCCCCCCCCCCCCCSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.56
▸ REN P00797 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ F2 P00734 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ LTA4H P09960 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PEPD P12955 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL6016755 1.00 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL6016753 1.00 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL7160195 0.99 ACE (0.58) ACERENKDM4EF2LMNA
SCHEMBL10796676 0.86 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL10800239 0.86 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL10796081 0.86 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL10796478 0.86 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL10801296 0.84 ACE (0.55) ACERENKDM4EF2LMNA
Tumonoic Acid D SCHEMBL29885139 0.83 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL21886585 0.83 ACE (0.70) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007101-B1 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS GE HEALTHCARE AS (NO) 2006-05-17 — — EP disclosed
EP-0973552-B1 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS AMERSHAM HEALTH AS (NO) 2006-03-01 — — EP disclosed
US-20050002865-A1 Diagnostic/therapeutic agents AMERSHAM HEALTH AS (NO) 2005-01-06 — — US disclosed
US-20040141922-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2004-07-22 — — US disclosed
US-6680047-B2 FOR USE IN ULTRASOUND IMAGING, CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-01-20 — — US disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 — — US disclosed
US-20020102217-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 — — US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 — — US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 — — US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 — — 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 (3 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-20040141922-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ACE 3105/4885REN 3237/4885KDM4E 4466/4885
US-20050002865-A1 Diagnostic/therapeutic agents FUS, HNRNPF, HNRNPR ACE 4228/4885REN 3584/4885KDM4E 4803/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ACE 3291/4885REN 3251/4885KDM4E 4426/4885

“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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