SCHEMBL13634975

SCHEMBL13634975

CCc1ccc(CO)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 2/20 0.43
EGFR P00533 1/20 0.41
BACE1 P56817 1/20 0.40
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA1 P00915 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL31061730 0.86 EGFR (0.43) SLC6A2SLC6A4SLC6A3EGFRCA2
SCHEMBL10583583 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3EGFR
SCHEMBL15031152 0.85 TRPA1 (0.43) SLC6A2SLC6A4SLC6A3BACE1TRPA1
SCHEMBL394899 0.84 NOS3 (0.45) SLC6A2SLC6A4BACE1CA2GAA
SCHEMBL27794471 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3EGFRCA2
SCHEMBL9778643 0.82 GAA (0.52) SLC6A2SLC6A4BACE1CA2CA4
SCHEMBL606892 0.82 EGFR (0.43) EGFRBACE1CA2CA12CA4
SCHEMBL22490117 0.80 EGFR (0.46) EGFRBACE1CA2CA12CA4
SCHEMBL25879759 0.80 CYP4F2 (0.43) EGFRCA2CA12CA4CA6
SCHEMBL20124807 0.78 SKP2 (0.46) BACE1CA2ALDH1A1GFER

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108238899-A A kind of synthetic method of medicine intermediate terephthalic acid (TPA) 成都东电艾尔科技有限公司 2018-07-03 CN claimed
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
CN-108238899-A A kind of synthetic method of medicine intermediate terephthalic acid (TPA) 成都东电艾尔科技有限公司 2018-07-03 CN disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
WO-2013117649-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
WO-2013117649-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 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 (1 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-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JAK1, IL6, JAK3 SLC6A2 4686/4885SLC6A4 4116/4885SLC6A3 4412/4885

“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.