SCHEMBL6114085

SCHEMBL6114085

N[C@@H](Cc1cnc[nH]1)C(=O)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.62
▸ SLC7A5 Q01650 1/20 0.62
▸ LTA4H P09960 1/20 0.55
▸ NLN Q9BYT8 1/20 0.52

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
Sulfuric Acid SCHEMBL11052847 0.95 CYP3A4 (0.57) CYP3A4SLC7A5LTA4HNLN
SCHEMBL28129417 0.83 CYP3A4 (0.51) CYP3A4SLC7A5
SCHEMBL13061496 0.83 LTA4H (0.62) CYP3A4SLC7A5LTA4HNLN
SCHEMBL1007042 0.83 CYP3A4 (0.61) CYP3A4SLC7A5LTA4HNLN
SCHEMBL713213 0.83 LTA4H (0.62) CYP3A4SLC7A5LTA4HNLN
SCHEMBL388562 0.82 CYP3A4 (0.73) CYP3A4SLC7A5
SCHEMBL27557588 0.82 LTA4H (0.56) CYP3A4SLC7A5LTA4HNLN
Hydrochloric Acid SCHEMBL27320108 0.82 LTA4H (0.61) CYP3A4SLC7A5LTA4H
SCHEMBL27991996 0.81 CYP3A4 (0.52) CYP3A4SLC7A5LTA4HNLN
SCHEMBL163444 0.81 CYP3A4 (0.71) CYP3A4SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425495-A Combination for the treatment of cancer 赛达克斯制药股份有限公司 2024-01-19 — — CN disclosed
CN-109748874-A A kind of preparation method of anserine and its intermediate 南京纽邦生物科技有限公司 2019-05-14 — — CN disclosed
CN-109748875-A A kind of preparation method of whale carnosine and its intermediate 南京纽邦生物科技有限公司 2019-05-14 — — CN disclosed
CN-106103480-A For interleukin-13 3(IL 33) antibody 安奈普泰斯生物有限公司 2016-11-09 — — CN disclosed
CN-105120887-A Growth hormone compound formulation NOVO NORDISK HEALTHCARE AG 2015-12-02 — — CN disclosed
EP-2811999-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2014-12-17 — — EP disclosed
WO-2013116663-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-08-08 — — WO disclosed
US-8372871-B2 Histidinol dehydrogenase inhibitors, and use thereof as medicaments CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-02-12 — — US disclosed
US-20120129907-A1 HISTIDINOL DEHYDROGENASE INHIBITORS, AND USE THEREOF AS MEDICAMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-24 — — US disclosed
CN-100591649-C Method of preparing R-(+)-3-chlorophenylpropanol TIANDU CHEN 2010-02-24 — — CN disclosed
CN-101012147-A Method of preparing R-(+)-3-chlorophenylpropanol CHEN TIANDU (CN) 2007-08-08 — — CN disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 — — EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 — — US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 — — 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-20120129907-A1 HISTIDINOL DEHYDROGENASE INHIBITORS, AND USE THEREOF AS MEDICAMENTS MDH2, MDH1, G6PD CYP3A4 696/4885SLC7A5 1006/4885LTA4H 513/4885

“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.

Send feedback