SCHEMBL1109217

SCHEMBL1109217

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL4232730 0.92 HRH3 (0.50) ATMALDH1A1HPGDALOX15LMNA
SCHEMBL4232735 0.92 ATM (0.48) ATMALDH1A1HPGDALOX15LMNA
SCHEMBL405228 0.92 ATM (0.47) ATM
SCHEMBL1109453 0.91 NPC1 (0.54) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL1109151 0.91 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2
SCHEMBL1109198 0.90 NPC1 (0.53) ALDH1A1HPGDSMN1; SMN2NPC1USP2
SCHEMBL1109357 0.90 NPC1 (0.53) ALDH1A1HPGDSMN1; SMN2NPC1USP2
SCHEMBL404628 0.90 ATM (0.46) ATMALDH1A1HPGDALOX15LMNA
SCHEMBL13825525 0.90 HRH3 (0.44) ALDH1A1LMNANPC1HRH3
SCHEMBL1109284 0.89 LMNA (0.47) ATMALDH1A1LMNASMN1; SMN2NPC1

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 11 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-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 (6 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 ATM 4652/4885ALDH1A1 782/4885HPGD 408/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885HPGD 408/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885HPGD 408/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885HPGD 408/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885HPGD 408/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 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.