SCHEMBL4311069

SCHEMBL4311069

NCP(=O)(O)OC(=O)C(=O)OP(=O)(O)CN

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.38
OTC P00480 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CA1 P00915 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31

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
SCHEMBL4100201 0.79 ALDH1A1 (0.48) CA4ALDH1A1LMNACYP3A4NFKB1
SCHEMBL4760429 0.77 LMNA (0.54) ALDH1A1LMNACYP3A4NFKB1BLM
SCHEMBL4562306 0.75 MMP1 (0.34) CA4OTCCA1LMNAANPEP
SCHEMBL4717100 0.75 LMNA (0.46) ALDH1A1LMNACYP3A4NFKB1BLM
SCHEMBL28067342 0.74 CA4 (0.31) CA4OTC
SCHEMBL18191912 0.74 TSHR (0.35) CA4OTCALDH1A1CYP3A4
SCHEMBL11599180 0.73 OTC (0.41) CA4OTCALDH1A1LMNACYP3A4
SCHEMBL11571766 0.69
SCHEMBL1412382 0.69
SCHEMBL1138036 0.69

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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
EP-2838887-B1 (2-UREIDOACETAMIDO)ALKYL DERIVATIVES AS FORMYL PEPTIDE RECEPTOR 2 MODULATORS ALLERGAN INC (US) 2018-11-21 EP disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
EP-3092233-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-11-16 EP disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 WO disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (5 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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CA4 3742/4885OTC 2482/4885ALDH1A1 471/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CA4 3742/4885OTC 2482/4885ALDH1A1 471/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 CA4 4851/4885OTC 3013/4885ALDH1A1 3374/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 CA4 3742/4885OTC 2482/4885ALDH1A1 471/4885
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN CA4 234/4885OTC 3665/4885ALDH1A1 3021/4885

“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.