SCHEMBL616188

SCHEMBL616188

C=CCOc1cc(NC(=O)OC)ccc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FLT3 P36888 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
LIG1 P18858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL7326428 0.90 TDP1 (0.71) TDP1SMN1; SMN2LMNAFLT3NPC1
SCHEMBL615839 0.86 SMN1; SMN2 (0.42) TDP1SMN1; SMN2LMNANPSR1FLT3
SCHEMBL13924205 0.82 FLT3 (0.55) TDP1SMN1; SMN2LMNANPSR1FLT3
SCHEMBL2901176 0.81 FLT3 (0.64) TDP1NPSR1FLT3NPC1LIG1
SCHEMBL2374331 0.81 HSP90AA1 (0.50) TDP1NPSR1FLT3NPC1MAPT
SCHEMBL9868423 0.80 MEN1 (0.48) TDP1SMN1; SMN2FLT3NPC1RAB9A
SCHEMBL7272605 0.80 GAA (0.59) TDP1SMN1; SMN2LMNAFLT3NPC1
SCHEMBL2545851 0.80 FFAR4 (0.55) TDP1FLT3MAPTLIG1KDM4E
SCHEMBL9634286 0.79 RAB9A (0.47) TDP1SMN1; SMN2LMNANPSR1NPC1
SCHEMBL14573823 0.78 FLT3 (0.46) TDP1SMN1; SMN2LMNAFLT3NPC1

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 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TDP1 2393/4885SMN1; SMN2 3689/4885LMNA 1757/4885

“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.