SCHEMBL1109272

SCHEMBL1109272

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)NO

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PTPN1 P18031 1/20 0.46
▸ DGAT1 O75907 1/20 0.45

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
SCHEMBL5450568 0.93 CA2 (0.49) ANPEP
SCHEMBL405181 0.93 CA2 (0.49) ANPEP
SCHEMBL1912191 0.90 HDAC8 (0.48) ANPEPALDH1A1HPGD
SCHEMBL13267016 0.89 NPC1 (0.46) ANPEPALDH1A1HPGDNPC1
SCHEMBL403983 0.88 — —
SCHEMBL13266957 0.87 ANPEP (0.52) ANPEPALDH1A1HPGDNPC1PTPN1
SCHEMBL1109288 0.87 HPGDS (0.49) ANPEPDGAT1
SCHEMBL403137 0.87 NPC1 (0.54) ALDH1A1NPC1
SCHEMBL1912121 0.87 MMP2 (0.50) ANPEPALDH1A1
SCHEMBL403504 0.87 ANPEP (0.50) ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 — — US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 — — US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 — — US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 — — US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 — — US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 — — US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — 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 (7 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885ALDH1A1 782/4885HPGD 408/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885ALDH1A1 782/4885HPGD 408/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885ALDH1A1 782/4885HPGD 408/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885ALDH1A1 782/4885HPGD 408/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ANPEP 735/4885ALDH1A1 687/4885HPGD 307/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885ALDH1A1 782/4885HPGD 408/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ANPEP 744/4885ALDH1A1 782/4885HPGD 408/4885

“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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