SCHEMBL12401314

SCHEMBL12401314

CCSCCC(NC(C)=O)C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ METAP2 P50579 4/20 0.34
▸ METAP1 P53582 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL23142965 0.83 MAPT (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20078588 0.83 CTSS (0.40) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL15368933 0.82 MAPT (0.38) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL468743 0.81 MAPT (0.50) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL468741 0.81 MAPT (0.50) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL3364340 0.81 MAPT (0.50) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL12229210 0.80 KDM4E (0.39) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL12467298 0.79 MAPT (0.36) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL16557204 0.78 ALDH1A1 (0.38) TSHRKDM4EMAPTTHRBALOX15
SCHEMBL24850734 0.76 KDM4E (0.42) TSHRKDM4EMAPTTHRBALOX15

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 TSHR 4684/4885KDM4E 2603/4885MAPT 2629/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 TSHR 4684/4885KDM4E 2603/4885MAPT 2629/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 TSHR 4796/4885KDM4E 1721/4885MAPT 3914/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 TSHR 4770/4885KDM4E 1669/4885MAPT 2613/4885

“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.

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