SCHEMBL3447675

SCHEMBL3447675

COC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CTSA P10619 13/20 0.42
▸ ATM Q13315 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL18683323 0.89 TSHR (0.46) CTSSCTSKALDH1A1TP53MAPT
SCHEMBL17841293 0.88 CTSA (0.50) CTSSCTSKCTSA
SCHEMBL1157183 0.88 CTSA (0.50) CTSSCTSKCTSA
SCHEMBL25445088 0.86 CTSS (0.46) CTSSCTSKALDH1A1MAPTATM
SCHEMBL3447780 0.86 CACNA1B (0.47) CTSSCTSKALDH1A1LMNATP53
SCHEMBL25445027 0.85 CTSS (0.47) CTSSCTSKALDH1A1TSHRNPSR1
SCHEMBL29770841 0.85 CTSS (0.47) CTSSCTSKALDH1A1TSHRNPSR1
SCHEMBL5768896 0.85 RAB9A (0.45) ALDH1A1LMNATP53MAPTPKM
SCHEMBL28265926 0.85 CTSS (0.45) CTSSCTSKALDH1A1LMNATP53
SCHEMBL28293920 0.85 CTSS (0.45) CTSSCTSKALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 — — EP disclosed
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 — — EP disclosed
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 — — EP disclosed
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 — — WO disclosed
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 — — US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 — — US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 — — US disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 — — 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 (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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSS 2576/4885CTSK 755/4885ALDH1A1 173/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSS 2576/4885CTSK 755/4885ALDH1A1 173/4885

“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.

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