SCHEMBL27006649

SCHEMBL27006649

Cc1ccc(S(=O)(=O)N2CCc3cc(C(C)(C)C)ccc3C(O)[C@H]2CC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP7 P09237 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
MMP14 P50281 2/20 0.45
MMP15 P51511 2/20 0.45
MMP16 P51512 2/20 0.45
MMP26 Q9NRE1 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
ELANE P08246 1/20 0.39
HSD11B1 P28845 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL27012367 1.00 MMP1 (0.45) MMP1MMP2MMP7MMP9MMP12
SCHEMBL27006676 0.86 MMP1 (0.44) MMP1MMP2MMP7MMP9MMP12
SCHEMBL27012364 0.85 MMP1 (0.43) MMP1MMP2MMP7MMP9MMP12
SCHEMBL29570581 0.85 MMP1 (0.43) MMP1MMP2MMP7MMP9MMP12
SCHEMBL7889207 0.69 MEN1 (0.59) MMP1MMP2MMP7MMP9MMP12
SCHEMBL5469511 0.67 CYP2D6 (0.40) MMP1MMP2MMP7MMP9MMP12
SCHEMBL24326515 0.66 PRCP (0.40)
SCHEMBL27012368 0.66 PRCP (0.40)
SCHEMBL24326708 0.66 PTPN1 (0.41) MEN1KMT2AHSD11B1
SCHEMBL3392159 0.65 MMP1 (0.70) MMP1MMP2MMP7MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MMP1 2415/4885MMP2 2779/4885MMP7 2863/4885

“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.