SCHEMBL4393669

SCHEMBL4393669

COC(=O)[C@H](NS(=O)(=O)N1CCN(c2ccc(I)cc2)CC1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
HSD17B10 Q99714 3/20 0.39
AKR1C3 P42330 1/20 0.39
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 3/20 0.37
POLB P06746 3/20 0.37
GLA P06280 1/20 0.37
MMP14 P50281 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL4393673 1.00 CA12 (0.42) CA12CA14HSD17B10AKR1C3CA7
SCHEMBL13591208 0.89 MEN1 (0.47) CA12CA14HSD17B10SMN1; SMN2LMNA
SCHEMBL4673480 0.88 MAPT (0.48) CA12CA14SMN1; SMN2MEN1KMT2A
SCHEMBL4673477 0.88 MAPT (0.48) CA12CA14SMN1; SMN2MEN1KMT2A
SCHEMBL13392314 0.88 ALDH1A1 (0.45) CA12CA14HSD17B10SMN1; SMN2HTT
SCHEMBL3309795 0.88 MMP12 (0.43) AKR1C3SMN1; SMN2MEN1KMT2APOLB
SCHEMBL13392207 0.88 AKR1C3 (0.40) CA14HSD17B10AKR1C3SMN1; SMN2LMNA
SCHEMBL3309784 0.88 MMP12 (0.43) AKR1C3SMN1; SMN2MEN1KMT2APOLB
SCHEMBL13392309 0.85 AKR1C3 (0.42) CA12CA14HSD17B10AKR1C3CA7
SCHEMBL13409565 0.80 AKR1C3 (0.42) AKR1C3SMN1; SMN2LMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 CA12 456/4885CA14 558/4885HSD17B10 1310/4885

“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.