SCHEMBL20164142

SCHEMBL20164142

C=CC[C@H](NC(=O)O)C(=O)NCc1ccccc1NC(=O)[C@H](C)C=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP8 P22894 3/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL20164145 1.00 L3MBTL1 (0.41) L3MBTL1POLBALDH1A1LMNAMEN1
SCHEMBL20181458 0.86 CTSS (0.43) TP53SCN9A
SCHEMBL21442822 0.86 CTSS (0.43) TP53SCN9A
SCHEMBL20164151 0.81 NPSR1 (0.34) L3MBTL1POLBALDH1A1NPSR1MMP8
SCHEMBL20164143 0.81 NPSR1 (0.34) L3MBTL1POLBALDH1A1NPSR1MMP8
SCHEMBL20164144 0.81 NPSR1 (0.34) L3MBTL1POLBALDH1A1NPSR1MMP8
SCHEMBL20164194 0.78 ALDH1A1 (0.42) ALDH1A1LMNATDP1TSHR
SCHEMBL20164177 0.76 MAPT (0.44) ALDH1A1LMNATSHR
SCHEMBL20164176 0.76 MAPT (0.44) ALDH1A1LMNATSHR
SCHEMBL20164169 0.74 MEN1 (0.47) L3MBTL1POLBALDH1A1LMNAMEN1

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 4 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
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

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 L3MBTL1 4710/4885POLB 4513/4885ALDH1A1 4091/4885
US-10160750-B2 Diamide macrocycles as factor XIa inhibitors TFPI, TFPI2, F11 L3MBTL1 4710/4885POLB 4513/4885ALDH1A1 4091/4885

“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.