SCHEMBL18728131

SCHEMBL18728131

O=C(O)CCOc1cccc(Br)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
LMNA P02545 1/20 0.53
MCL1 Q07820 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FABP3 P05413 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ESR1 P03372 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
SCHEMBL1694563 0.83 LMNA (0.56) MRGPRX4LMNAMCL1KMT2AKDM4E
SCHEMBL2728131 0.83 LMNA (0.64) LMNANPC1RAB9AKMT2AKDM4E
SCHEMBL23976506 0.81 LMNA (0.53) LMNANPC1RAB9AKMT2AKDM4E
SCHEMBL30063027 0.81 LMNA (0.53) LMNANPC1RAB9AKMT2AKDM4E
SCHEMBL31107962 0.81 LMNA (0.53) LMNAMCL1RAB9APTGDR2KMT2A
SCHEMBL16404614 0.81 LMNA (0.57) LMNAMCL1NPC1RAB9AKMT2A
SCHEMBL10158594 0.81 LMNA (0.71) LMNAMCL1PTGDR2KMT2AL3MBTL1
SCHEMBL28912831 0.80 KDM4E (0.53) MRGPRX4KMT2AKDM4EMEN1
SCHEMBL16585363 0.80 MRGPRX4 (0.51) MRGPRX4LMNANPC1RAB9AKMT2A
SCHEMBL30272032 0.80 KDM4E (0.53) MRGPRX4KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368090-B Compounds as immunomodulators 百时美施贵宝公司 2022-04-12 CN disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 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 (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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 MRGPRX4 330/4885LMNA 4791/4885MCL1 125/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 MRGPRX4 330/4885LMNA 4791/4885MCL1 125/4885

“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.