SCHEMBL18728097

SCHEMBL18728097

O=C(CCOc1cccc(Br)c1Cl)NCC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL18728096 1.00 MRGPRX4 (0.41) MRGPRX4TP53TSHRCYP1A2CYP3A4
SCHEMBL23167454 0.79 TDP1 (0.51) MRGPRX4TP53TSHRCYP1A2CYP3A4
SCHEMBL29772005 0.79 TDP1 (0.51) MRGPRX4TP53TSHRCYP1A2CYP3A4
SCHEMBL23167452 0.79 TDP1 (0.51) MRGPRX4TP53TSHRCYP1A2CYP3A4
SCHEMBL18761140 0.79 MRGPRX4 (0.43) MRGPRX4TSHRALDH1A1GAAHPGD
SCHEMBL18728937 0.75 KMT2A (0.54) MRGPRX4TSHRCYP1A2CYP2C19TDP1
SCHEMBL18728131 0.75 MRGPRX4 (0.55) MRGPRX4MEN1KMT2AALDH1A1GAA
SCHEMBL18729035 0.75 CYP1A2 (0.43) MRGPRX4TP53TSHRCYP1A2CYP3A4
SCHEMBL28912831 0.74 KDM4E (0.53) MRGPRX4TP53MEN1KMT2AKDM4E
SCHEMBL30272032 0.74 KDM4E (0.53) MRGPRX4TP53MEN1KMT2AKDM4E

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 5 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
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 MRGPRX4 330/4885TP53 82/4885TSHR 3660/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 MRGPRX4 330/4885TP53 82/4885TSHR 3660/4885

“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.