SCHEMBL615875

SCHEMBL615875

CC(C)(C)OC(=O)NC(=CCCOCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.45
CTSS P25774 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
AKT1 P31749 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SYK P43405 1/20 0.41
IDO1 P14902 1/20 0.40
ATM Q13315 1/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL615874 1.00 PPARA (0.49) PPARAPPARGCTSSL3MBTL1AKT1
SCHEMBL17844742 0.82 CA12 (0.47) PPARAPPARGCTSSL3MBTL1AKT1
SCHEMBL17844739 0.82 CA12 (0.47) PPARAPPARGCTSSL3MBTL1AKT1
SCHEMBL12521814 0.78 PPARA (0.63) PPARAPPARGCTSSSYKKLK7
SCHEMBL27872809 0.78 PPARA (0.63) PPARAPPARGCTSSSYKKLK7
SCHEMBL6249303 0.75 CA12 (0.43) PPARAPPARGCTSSAKT1CA12
SCHEMBL6249304 0.75 CA12 (0.43) PPARAPPARGCTSSAKT1CA12
SCHEMBL506649 0.75 IDO1 (0.62) PPARAPPARGCTSSL3MBTL1AKT1
SCHEMBL23794730 0.75 SYK (0.51) PPARACTSSAKT1CA12CA1
SCHEMBL23794729 0.75 SYK (0.51) PPARACTSSAKT1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PPARA 4860/4885PPARG 4858/4885CTSS 213/4885

“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.