SCHEMBL416900

SCHEMBL416900

CC1C(c2ccccc2)N(C(=O)C(C)(C)C)C(=O)N1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RIPK1 Q13546 11/20 0.49
ELANE P08246 1/20 0.38
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL463912 0.83 TSHR (0.56) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL464236 0.79 MEN1 (0.52) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL7806213 0.78 TSHR (0.51) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL14569802 0.76 KMT2A (0.72) TSHRMEN1KMT2AELANEATM
SCHEMBL13875774 0.75 TSHR (0.48) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL13890643 0.75 TSHR (0.48) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL13986308 0.74 MEN1 (0.47) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL13986305 0.74 MEN1 (0.47) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL5963957 0.74 RIPK1 (0.49) TSHRMEN1KMT2ARIPK1ELANE
SCHEMBL5747224 0.72 MEN1 (0.45) TSHRMEN1KMT2AELANELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD TSHR 4389/4885MEN1 3086/4885KMT2A 3611/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD TSHR 4389/4885MEN1 3086/4885KMT2A 3611/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD TSHR 4389/4885MEN1 3086/4885KMT2A 3611/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP TSHR 4606/4885MEN1 3270/4885KMT2A 3519/4885

“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.