SCHEMBL1109573

SCHEMBL1109573

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
ANPEP P15144 1/20 0.41
HDAC1 Q13547 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PPARG P37231 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1109579 0.93 MCHR1 (0.42) MCHR1HDAC1ALDH1A1LMNACYP1A2
SCHEMBL1109570 0.91 PPARG (0.45) HDAC1ALDH1A1LMNACYP1A2ALOX15
SCHEMBL401281 0.90 ACACB (0.43)
SCHEMBL1912267 0.90 HDAC1 (0.47) HDAC1ALDH1A1LMNACYP1A2ALOX15
SCHEMBL10286232 0.89 PRKD1 (0.47) HDAC1ALDH1A1LMNACYP1A2ALOX15
SCHEMBL1109450 0.89 PPARG (0.48) HDAC1PPARGHDAC8HDAC6
SCHEMBL1109512 0.88 PPARG (0.44) ANPEPHDAC1ALDH1A1LMNACYP1A2
SCHEMBL1109580 0.88 HDAC1 (0.46) MCHR1HDAC1ALDH1A1HDAC8HDAC6
SCHEMBL1109422 0.88 HRH4 (0.52) HDAC1LMNACYP1A2CYP2C19PPARG
SCHEMBL1109452 0.88 HDAC1 (0.50) HDAC1

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 MCHR1 4181/4885SMN1; SMN2 2296/4885ANPEP 744/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885SMN1; SMN2 2296/4885ANPEP 744/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885SMN1; SMN2 2296/4885ANPEP 744/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885SMN1; SMN2 2296/4885ANPEP 744/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885SMN1; SMN2 2296/4885ANPEP 744/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MCHR1 4181/4885SMN1; SMN2 2296/4885ANPEP 744/4885

“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.