SCHEMBL20164188

SCHEMBL20164188

C=CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(F)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.44
CTSK P43235 10/20 0.44
SYK P43405 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CTSL P07711 5/20 0.43
CTSB P07858 4/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL20164191 1.00 CTSS (0.44) CTSSCTSKSYKLMNAMAPT
SCHEMBL20164176 0.88 MAPT (0.44) CTSSCTSKLMNAMAPTCTSL
SCHEMBL20164177 0.88 MAPT (0.44) CTSSCTSKLMNAMAPTCTSL
SCHEMBL20164154 0.83 MAPT (0.46) CTSSCTSKLMNAMAPTCTSL
SCHEMBL20164153 0.83 MAPT (0.46) CTSSCTSKLMNAMAPTCTSL
SCHEMBL18330319 0.81 CTSS (0.40) CTSSCTSKLMNAMAPTCTSL
SCHEMBL18526468 0.74 PPARA (0.55) CTSSCTSKSYKMAPTCTSL
SCHEMBL29076078 0.74 KCNQ4 (0.47) CTSSCTSKLMNA
SCHEMBL21442822 0.73 CTSS (0.43) CTSSCTSKMAPTCTSLCTSB
SCHEMBL20181458 0.73 CTSS (0.43) CTSSCTSKMAPTCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026083-B Diamide macrocycles as factor XIA inhibitors 百时美施贵宝公司 2021-08-27 CN disclosed
EP-3310777-B1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-09 EP disclosed
EP-3310777-B1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-09 EP disclosed
US-10160750-B2 Diamide macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-25 US disclosed
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 US disclosed
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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 (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-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CTSS 237/4885CTSK 86/4885SYK 662/4885
US-10160750-B2 Diamide macrocycles as factor XIa inhibitors TFPI, TFPI2, F11 CTSS 237/4885CTSK 86/4885SYK 662/4885

“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.