SCHEMBL17825607

SCHEMBL17825607

COC(=O)C(C)(CNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
IDO1 P14902 1/20 0.43
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
KDM4A O75164 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SYK P43405 1/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
SIGMAR1 Q99720 3/20 0.41
MALT1 Q9UDY8 1/20 0.40
AKT1 P31749 2/20 0.40
DRD2 P14416 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL161005 0.88 IDO1 (0.45) IDO1PRSS1CTSGCTRB1CMA1
SCHEMBL18204356 0.87 SYK (0.44) IDO1PRSS1CTSGCTRB1CMA1
SCHEMBL25258248 0.86 PPARA (0.41) PRSS1CTSGCTRB1CMA1KDM4A
SCHEMBL18215242 0.82 ALDH1A1 (0.47) IDO1SIGMAR1CYP2C19
SCHEMBL630419 0.81 IDO1 (0.47) IDO1KDM4ACA12CA1CA7
SCHEMBL2067960 0.80 IDO1 (0.46) IDO1KDM4ACA12CA1CA7
SCHEMBL27512704 0.80 IDO1 (0.46) IDO1KDM4ACA12CA1CA7
SCHEMBL18204342 0.78 CHRM3 (0.57)
SCHEMBL2067970 0.78 IDO1 (0.44) IDO1KDM4ACA12CA1CA7
SCHEMBL29182102 0.77 IDO1 (0.49) IDO1KDM4ACA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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 (2 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 KCNN4 1478/4885IDO1 4225/4885PRSS1 1048/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 KCNN4 1478/4885IDO1 4225/4885PRSS1 1048/4885

“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.