SCHEMBL6609045

SCHEMBL6609045

[CH2]C(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.55
CTSS P25774 4/20 0.55
MAPT P10636 1/20 0.51
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
ATM Q13315 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
ACE P12821 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL1193789 1.00 CTSK (0.55) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL1194009 1.00 CTSK (0.55) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL18989601 0.88 CTSK (0.51) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL18989589 0.88 CTSK (0.51) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL7877056 0.85 MIF (0.47) CTSKCTSSMAPTATMCTSL
SCHEMBL5500503 0.85 CTSK (0.41) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL18989452 0.84 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL18989598 0.84 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL18989457 0.84 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL391359 0.84 TRPA1 (0.47) CTSKCTSSMAPTCTSLPPARA

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-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 EP disclosed
EP-3066065-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
WO-2015067450-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed
EP-0356223-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1990-02-28 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 (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-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 CTSK 3161/4885CTSS 3551/4885MAPT 2554/4885

“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.