SCHEMBL616362

SCHEMBL616362

COC(=O)c1c(F)cc(N=C(c2ccccc2)c2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
FGFR1 P11362 5/20 0.40
FLT1 P17948 5/20 0.40
FGFR3 P22607 5/20 0.40
KDR P35968 5/20 0.40
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL30638614 0.74 DHODH (0.49) TSHRRAB9AALDH1A1CA1CA2
SCHEMBL31161188 0.73 TSHR (0.47) TSHRMAPTRAB9AL3MBTL1CASP3
SCHEMBL1110779 0.73 KMT2A (0.49) TSHRMAPTRAB9AL3MBTL1CA1
SCHEMBL24952851 0.72 MGLL (0.41) MAPTRAB9AFGFR1ALDH1A1HPGD
SCHEMBL22833466 0.72 TSHR (0.46) TSHRMAPTRAB9AL3MBTL1CASP3
SCHEMBL30103869 0.72 MGLL (0.41) MAPTRAB9AFGFR1ALDH1A1HPGD
SCHEMBL31161785 0.72 TSHR (0.46) TSHRMAPTRAB9AL3MBTL1CASP3
SCHEMBL31728440 0.72 TSHR (0.42) TSHRMAPTRAB9AALDH1A1SLC6A3
SCHEMBL12426969 0.72 LMNA (0.50) TSHRMAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL9952222 0.72 TSHR (0.49) TSHRMAPTRAB9AL3MBTL1CASP3

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 13 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
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
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US 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 (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 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TSHR 2404/4885MAPT 326/4885RAB9A 3309/4885

“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.