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SCHEMBL12401181

SCHEMBL12401181

CC(C)(C)C(=O)C(NC(=O)OCc1c(F)cccc1F)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ SCN9A Q15858 5/20 0.39
▸ SCN5A Q14524 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NLRP3 Q96P20 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14943200 0.88 TGM2 (0.44) TGM2MMP1MMP2MMP9MMP12
SCHEMBL12482941 0.86 TGM2 (0.43) TGM2MMP1MMP2MMP9MMP12
SCHEMBL12401155 0.86 ALDH1A1 (0.47) MMP1MMP2MMP9MMP12SCN9A
SCHEMBL12401144 0.81 GRM5 (0.49) MMP1MMP2MMP9MMP12SCN9A
SCHEMBL12401177 0.80 KMT2A (0.55) TGM2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12404561 0.80 SYK (0.52) NPC1RAB9ASMN1; SMN2
SCHEMBL12404589 0.77 MEN1 (0.43) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL12401316 0.76 NAAA (0.43) TGM2MMP1MMP2MMP9MMP12
SCHEMBL12401101 0.75 CYP1A2 (0.48) MMP1MMP2MMP9MMP12SCN9A
SCHEMBL29655652 0.75 TGM2 (0.52) TGM2MMP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (4 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 TGM2 1773/4885MMP1 523/4885MMP2 120/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 TGM2 1773/4885MMP1 523/4885MMP2 120/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 TGM2 1780/4885MMP1 871/4885MMP2 319/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 TGM2 1846/4885MMP1 599/4885MMP2 107/4885

“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.