SCHEMBL1258754

SCHEMBL1258754

CC(C)(C)c1c(C[C@H](NC(=O)OCc2ccccc2)C(N)=O)c2ccccc2n1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.45
▸ CTSS P25774 4/20 0.43
▸ CTSB P07858 3/20 0.43
▸ CTSK P43235 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TACR1 P25103 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP14 P50281 1/20 0.41

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
SCHEMBL1258757 1.00 CTSL (0.45) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL1257540 0.82 CTRB1 (0.40) —
SCHEMBL1257536 0.82 CTRB1 (0.40) —
SCHEMBL21315755 0.82 ALDH1A1 (0.43) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL21488785 0.79 ALDH1A1 (0.49) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL21488788 0.79 ALDH1A1 (0.49) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL10250520 0.76 CTSL (0.68) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL764062 0.76 CTSL (0.68) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL6387189 0.76 CTSL (0.68) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL21488724 0.74 ALDH1A1 (0.45) CTSLCTSSCTSBCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 — — US disclosed
US-20110039849-A1 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2011-02-17 — — 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-20110039849-A1 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION IRF3, GDI2, TLR5 CTSL 867/4885CTSS 1511/4885CTSB 942/4885

“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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