SCHEMBL613832

SCHEMBL613832

C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 5/20 0.44
CTSK P43235 4/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CACNA1B Q00975 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
ACE P12821 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MMP13 P45452 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
SCHEMBL613831 1.00 MEN1 (0.44) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30480726 1.00 MEN1 (0.44) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL21645653 0.87 CTSS (0.44) HTTCTSSCTSKALDH1A1MAPT
SCHEMBL21645651 0.87 CTSS (0.44) HTTCTSSCTSKALDH1A1MAPT
SCHEMBL16974638 0.83 MAPT (0.39) MEN1KMT2ACTSSCTSKALDH1A1
SCHEMBL615701 0.83 KDM4E (0.46) CTSSCTSKALDH1A1MAPTKDM4E
SCHEMBL615702 0.83 KDM4E (0.46) CTSSCTSKALDH1A1MAPTKDM4E
SCHEMBL30480765 0.83 KDM4E (0.46) CTSSCTSKALDH1A1MAPTKDM4E
SCHEMBL23797268 0.78 MAPT (0.47) CTSSCTSKALDH1A1MAPTKDM4E
SCHEMBL23797269 0.78 MAPT (0.47) CTSSCTSKALDH1A1MAPTKDM4E

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 24 patents — showing the first 20. 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
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
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP 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-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (9 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 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MEN1 376/4885NPC1 2027/4885HTT 2077/4885

“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.