SCHEMBL1712339

SCHEMBL1712339

CNC(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
SRC P12931 1/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.47
CHRM2 P08172 1/20 0.47
ADRA1A P35348 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
ADRA2C P18825 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 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
SCHEMBL5225847 1.00 CYP2D6 (0.50) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL1964866 1.00 CYP2D6 (0.50) CYP2D6SRCLMNAMAPK1KMT2A
Hydrochloric Acid SCHEMBL1967435 0.98 KMT2A (0.48) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL10065853 0.88 PTGS2 (0.58) CYP2D6CYP3A4CYP2C9PKMCYP2C19
SCHEMBL2628427 0.84 KMT2A (0.45) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL6275744 0.84 KMT2A (0.45) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL6275948 0.84 KMT2A (0.45) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL6966020 0.84 KMT2A (0.45) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL6714743 0.83 FOLH1 (0.55) CYP2D6SRCLMNAKMT2ACHRM2
SCHEMBL5427932 0.83 FOLH1 (0.55) CYP2D6SRCLMNAKMT2ACHRM2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628680-B1 MODULATION OF COMPLEMENT ACTIVITY RA PHARMACEUTICALS INC (US) 2021-09-08 EP claimed
CN-117362188-B Synthesis method of alpha-substituted deuterated amino acid ester 广州医科大学 2025-05-20 CN disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
WO-2023164311-A2 COMPOSITIONS AND METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) AND RELATED DISORDERS BIOINCEPT, LLC (US) 2023-08-31 WO disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 WO disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169759-B1 Tetrapeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-01-30 US disclosed
US-5583148-A FUNGICIDE, BACTERICIDE AND ANTICARCINOGENIC AGENT RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-12-10 US disclosed
EP-0499376-A1 Precipitation-induced asymmetric transformation of chiral alpha-amino acids and salts thereof HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
US-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 US disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 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 (2 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 CYP2D6 2096/4885SRC 2476/4885LMNA 3314/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP CYP2D6 4271/4885SRC 797/4885LMNA 4095/4885

“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.