SCHEMBL2004242

SCHEMBL2004242

Cc1cc(CNC(=O)OC(C)(C)C)cc(Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
NSD2 O96028 1/20 0.41
KDM4A O75164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 2/20 0.38
NAMPT P43490 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
IDO1 P14902 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL31432339 0.90 KDM4A (0.44) GAANSD2KDM4AL3MBTL1HDAC1
SCHEMBL2956194 0.87 TSHR (0.41) TSHRSMN1; SMN2GAANSD2KDM4A
SCHEMBL2005452 0.85 TSHR (0.43) TSHRSMN1; SMN2GAAKDM4AL3MBTL1
SCHEMBL14144774 0.85 TSHR (0.46) TSHRSMN1; SMN2GAANSD2KDM4A
SCHEMBL2948900 0.84 NSD2 (0.40) GAANSD2KDM4AL3MBTL1HDAC1
SCHEMBL31431349 0.84 GRM2 (0.41) GAANSD2KDM4AL3MBTL1HDAC1
SCHEMBL2959710 0.84 HDAC1 (0.40) GAANSD2KDM4AL3MBTL1HDAC1
SCHEMBL4145619 0.82 KDM4A (0.47) GAANSD2KDM4AL3MBTL1TDP1
SCHEMBL1829911 0.82 TSHR (0.59) TSHRSMN1; SMN2GAAKDM4AL3MBTL1
SCHEMBL31431816 0.82 KDM4A (0.38) GAANSD2KDM4AL3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed
US-7960584-B2 3-(4-t-butyl-phenyl)-N-(4-methanesulfonylamino-benzyl)-2-methyl-acrylamide; pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane AMOREPACIFIC CORPORATION (KR) 2011-06-14 US disclosed
US-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same AMOREPACIFIC CORPORATION (KR) 2008-09-25 US disclosed
US-7408071-B2 N-aryl pyrrolidine derivatives as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-05 US disclosed
US-7408071-B2 N-aryl pyrrolidine derivatives as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-05 US disclosed
US-7408071-B2 N-aryl pyrrolidine derivatives as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-05 US disclosed
US-7390925-B2 Oxime-containing acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7390925-B2 Oxime-containing acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7390925-B2 Oxime-containing acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
EP-1861358-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
US-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006101321-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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 (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-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same TRPV1, TRPA1, TRPV5 TSHR 2576/4885SMN1; SMN2 1159/4885GAA 3185/4885
US-20070232581-A1 Oxime-Containing Acyl Guanidines as Beta-Secretase Inhibitors BACE1, APP, BACE2 TSHR 3068/4885SMN1; SMN2 201/4885GAA 70/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 TSHR 4211/4885SMN1; SMN2 830/4885GAA 140/4885

“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.