SCHEMBL5316261

SCHEMBL5316261

COc1ccc(/N=C/C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MAPT P10636 2/20 0.47
NOS3 P29474 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4062029 1.00 S100B (0.50) S100BTHRBATMCA1CA2
SCHEMBL14804097 0.85 NOS3 (0.50) S100BCA1CA2MAPTNOS3
SCHEMBL8809970 0.83 S100B (0.49) S100BCA1CA2MAPTNOS3
SCHEMBL28518807 0.83 S100B (0.49) S100BCA2MAPTNOS3HTR3E
SCHEMBL30170219 0.83 S100B (0.49) S100BCA1CA2MAPTNOS3
SCHEMBL8810676 0.81 RAB9A (0.61) CA1CA2MAPTCES2CES1
SCHEMBL8810678 0.81 RAB9A (0.61) CA1CA2MAPTCES2CES1
SCHEMBL16812868 0.81 RAB9A (0.61) CA1CA2MAPTCES2CES1
SCHEMBL1259691 0.78 KMT2A (0.52) S100BMAPTCES2CES1GAA
SCHEMBL809447 0.78 KMT2A (0.52) S100BMAPTCES2CES1GAA

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
EP-4347567-A1 TETRAHYDROQUINOLINE (THQ) COUMPOUNDS Centre National de la Recherche Scientifique (FR) 2024-04-10 EP disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
EP-3897623-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 Leo Pharma A/S (DK) 2021-10-27 EP disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 US disclosed
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-26 US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2007062316-A2 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR ANTI-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-31 WO disclosed
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 US disclosed
US-4775670-A BACTERICIDES, ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1988-10-04 US disclosed
EP-0048953-B1 BETA-LACTAM ANTIBIOTICS E.R. Squibb & Sons, Inc. (US) 1988-03-09 EP disclosed
EP-0187355-A1 Process for preparing beta-lactam antibiotics E.R. Squibb & Sons, Inc. (US) 1986-07-16 EP disclosed
US-4529698-A Culturing Chromobacterium E. R. SQUIBB & SONS, INC. (US) 1985-07-16 US disclosed
EP-0048953-A2 Beta-lactam antibiotics E.R. Squibb & Sons, Inc. (US) 1982-04-07 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 (3 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-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 S100B 781/4885THRB 4045/4885ATM 3440/4885
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS HRH4, NR1I3, NR1I2 S100B 4846/4885THRB 1238/4885ATM 1105/4885
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF NPY4R, ADIPOR1, NPY1R S100B 2233/4885THRB 664/4885ATM 4230/4885

“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.