SCHEMBL20164154

SCHEMBL20164154

C=CCC(NC(=O)OCc1ccccc1)C(=O)NCc1cc(F)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TGM2 P21980 1/20 0.45
CTSS P25774 6/20 0.44
CTSL P07711 5/20 0.44
CTSK P43235 3/20 0.44
CTSB P07858 3/20 0.44
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
KCNA5 P22460 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL20164153 1.00 MAPT (0.46) MAPTLMNATGM2CTSSCTSL
SCHEMBL20164183 0.84 KEAP1 (0.35) CTSLCTSB
SCHEMBL20164177 0.83 MAPT (0.44) MAPTLMNACTSSCTSLCTSK
SCHEMBL20164176 0.83 MAPT (0.44) MAPTLMNACTSSCTSLCTSK
SCHEMBL20164191 0.83 CTSS (0.44) MAPTLMNACTSSCTSLCTSK
SCHEMBL20164188 0.83 CTSS (0.44) MAPTLMNACTSSCTSLCTSK
SCHEMBL18330319 0.77 CTSS (0.40) MAPTLMNATGM2CTSSCTSL
SCHEMBL17102165 0.76 CASP3 (0.47) TGM2CTSSCTSLCTSKCTSB
SCHEMBL12873774 0.74 CTSL (0.54) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL924114 0.74 PPARA (0.53) CTSSCTSLCTSKCTSBCASP1

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 MAPT 569/4885LMNA 2365/4885TGM2 2545/4885
US-10160750-B2 Diamide macrocycles as factor XIa inhibitors TFPI, TFPI2, F11 MAPT 569/4885LMNA 2365/4885TGM2 2545/4885

“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.