SCHEMBL3309784

SCHEMBL3309784

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.43
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
AKR1C3 P42330 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR1 P32246 1/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP13 P45452 3/20 0.39
ADAMTS4 O75173 2/20 0.39
MMP1 P03956 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39

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
SCHEMBL3309795 1.00 MMP12 (0.43) MMP12MMP14ADAMTS5AKR1C3MAPT
SCHEMBL13591209 0.89 MEN1 (0.52) MMP12MMP14ADAMTS5MAPTMEN1
SCHEMBL13409570 0.88 MAPT (0.50) MMP14ADAMTS5MAPTMEN1KMT2A
SCHEMBL4393669 0.88 CA12 (0.42) MMP14ADAMTS5AKR1C3MAPTMEN1
SCHEMBL4393673 0.88 CA12 (0.42) MMP14ADAMTS5AKR1C3MAPTMEN1
SCHEMBL13409565 0.87 AKR1C3 (0.42) MMP14ADAMTS5AKR1C3MAPTMEN1
SCHEMBL13392306 0.84 AKR1C3 (0.43) MMP12MMP14ADAMTS5AKR1C3MAPT
SCHEMBL13392207 0.80 AKR1C3 (0.40) AKR1C3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13392314 0.78 ALDH1A1 (0.45) MMP14ADAMTS5MAPTMEN1KMT2A
SCHEMBL4674652 0.77 ADAMTS4 (0.61) MMP14ADAMTS5MMP2MMP13ADAMTS4

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-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 MMP12 10/4885MMP14 14/4885ADAMTS5 56/4885

“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.