SCHEMBL4448480

SCHEMBL4448480

COC(=O)[C@H](Cc1ccc(C(F)(F)F)nc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 1/20 0.53
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KYNU Q16719 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSL P07711 2/20 0.48
CTSK P43235 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
CAPN1 P07384 1/20 0.48

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
SCHEMBL1519828 0.84 KLK5 (0.47) CTSLCTSKCTSBCTSSITGB3
SCHEMBL1519826 0.84 KLK5 (0.47) CTSLCTSKCTSBCTSSITGB3
SCHEMBL3587652 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15CYP3A4TSHRKYNU
SCHEMBL18256473 0.84 KLK5 (0.47) CTSLCTSKCTSBCTSSITGB3
SCHEMBL329686 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4TSHRCYP2C9
SCHEMBL7151822 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4TSHRCYP2C9
SCHEMBL19924783 0.81 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRKYNU
SCHEMBL19924784 0.81 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRKYNU
Hydrochloric Acid SCHEMBL7928050 0.80 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4TSHRCYP2C9
SCHEMBL4440640 0.79 CYP2C9 (0.44) ALDH1A1CYP3A4TSHRKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
EP-1807443-A1 ACYLATED NONADEPSIPEPTIDES USED AS LYSOBACTIN DERIVATIVES AiCuris GmbH & Co. KG (DE) 2007-07-18 EP disclosed
WO-2006048139-A1 ACYLATED NONADEPSIPEPTIDES USED AS LYSOBACTIN DERIVATIVES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC ALDH1A1 4817/4885ALOX15 1704/4885CYP3A4 4034/4885

“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.