SCHEMBL5128539

SCHEMBL5128539

COC(=O)C(C)N(c1csc(-c2ccccc2)c1)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
PTPRB P23467 3/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
KLK5 Q9Y337 1/20 0.35
AGTR2 P50052 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
MAPT P10636 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL5128152 0.81 MEN1 (0.38) CA12CA14CA1CA7HSD17B1
SCHEMBL17109910 0.67 FFAR1 (0.46)
SCHEMBL19401492 0.67 CA12 (0.49) CA12CA14CA1CA7KLK5
SCHEMBL19401546 0.67 CA12 (0.49) CA12CA14CA1CA7KLK5
SCHEMBL5122309 0.65 CNR1 (0.48) HSD17B1HSD17B2MMP13MAPT
SCHEMBL7446003 0.64 KMT2A (0.41) MAPTCTSSCTSK
SCHEMBL7308442 0.64 KMT2A (0.41) MAPTCTSSCTSK
SCHEMBL27417780 0.63 KMT2A (0.43)
SCHEMBL5123264 0.63 CA12 (0.39) CA12CA14CA1CA7PTPRB
SCHEMBL5127766 0.63 CA12 (0.39) CA12CA14CA1CA7PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR CA12 4823/4885CA14 4854/4885CA1 4824/4885

“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.