SCHEMBL4738233

SCHEMBL4738233

NCc1ccc(CNC(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.85
CYP2C19 P33261 2/20 0.85
CYP1A2 P05177 1/20 0.85
CYP2D6 P10635 1/20 0.85
TSHR P16473 1/20 0.85
TPSAB1 Q15661 6/20 0.70
PRSS1 P07477 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
KLKB1 P03952 4/20 0.49
KLK1 P06870 3/20 0.49
CFD P00746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
BACE1 P56817 2/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
LOXL2 Q9Y4K0 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
Benzylamine SCHEMBL910097 0.92 CYP1A2 (1.00) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL11533429 0.89 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL258716 0.84 CYP2C9 (0.62) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL1500540 0.84 CYP1A2 (0.79) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL20705214 0.83 CYP2C19 (0.61) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL626651 0.83 TPSAB1 (0.70) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL7441659 0.83 CYP2C9 (0.60) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL8602062 0.82 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL5879548 0.82 CYP1A2 (0.76) CYP2C9CYP2C19CYP1A2CYP2D6TSHR
SCHEMBL23571643 0.81 TPSAB1 (0.81) CYP2C9CYP2C19CYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
WO-2024112612-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-05-30 WO disclosed
US-20240174772-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2024-05-30 US disclosed
US-20240174675-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES THE SCRIPPS RESEARCH INSTITUTE 2024-05-30 US disclosed
US-11981670-B2 Alkyl chain modified imidazoquinoline TLR7/8 agonist compounds and uses thereof DYNAVAX TECHNOLOGIES CORPORATION (US) 2024-05-14 US disclosed
US-20240124484-A1 IMIDAZOTHIENOPYRIDINE COMPOUNDS AND METHODS OF USE ZYMEWORKS BC INC (CA) 2024-04-18 US disclosed
US-11932708-B2 Crosslinked alginic acid MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2024-03-19 US disclosed
WO-2024020684-A1 IMMUNOMODULATOR PURINE-DERIVED COMPOUNDS, CONJUGATES THEREOF, AND METHODS OF USE THEREOF ZYMEWORKS BC INC. (CA) 2024-02-01 WO disclosed
WO-2024026064-A1 ENHANCING ANTIMETASTASIS ACTIVITY USING TARGETED PROTEIN DEGRADATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-02-01 WO disclosed
EP-1482941-A4 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS INC (US) 2006-04-12 EP disclosed
EP-1577292-A1 Phenylaminoethanol derivatives as beta2 receptor agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
EP-1482941-A1 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO Myriad Pharmaceuticals, Inc. (US) 2004-12-08 EP disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 US disclosed
WO-2003068234-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068237-A1 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS, INC. (US) 2003-08-21 WO disclosed
EP-1171435-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2000061551-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP 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-11981670-B2 Alkyl chain modified imidazoquinoline TLR7/8 agonist compounds and uses thereof TLR7, TLR8, TLR3 CYP2C9 3342/4885CYP2C19 3488/4885CYP1A2 2363/4885
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 CYP2C9 2968/4885CYP2C19 2992/4885CYP1A2 2611/4885
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DBN1, MYCBP, PSMG3 CYP2C9 4182/4885CYP2C19 4310/4885CYP1A2 4292/4885
US-20240174675-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES DPP4, DPP7, DPP3 CYP2C9 4880/4885CYP2C19 4881/4885CYP1A2 4791/4885
US-20240124484-A1 IMIDAZOTHIENOPYRIDINE COMPOUNDS AND METHODS OF USE DHFR, RARS2, DPYD CYP2C9 538/4885CYP2C19 311/4885CYP1A2 1687/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R CYP2C9 4575/4885CYP2C19 3035/4885CYP1A2 4022/4885

“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.