SCHEMBL21806563

SCHEMBL21806563

Cc1noc(Br)c1NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
EDNRA P25101 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
EDNRB P24530 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL3599701 0.79 BRD4 (0.46) HTTKDM4EMAPTBRD4ALDH1A1
Hydrochloric Acid SCHEMBL1375757 0.78 BRD4 (0.45) HTTKDM4EMAPTBRD4ALDH1A1
SCHEMBL6003 0.73 LPAR1 (0.54) HTTKDM4EMAPTLPAR1LPAR3
SCHEMBL23917585 0.73 LPAR1 (0.72) LPAR1LPAR3ALDH1A1L3MBTL1
SCHEMBL23917750 0.72 LPAR1 (0.42) LPAR1LPAR3SMN1; SMN2POLB
SCHEMBL15880719 0.72 ALDH1A1 (0.33) HTTKDM4EMAPTLPAR1LPAR3
SCHEMBL4031767 0.71 MAPT (0.47) KDM4EMAPTLPAR1LPAR3BRD4
SCHEMBL21806565 0.71 HCAR2 (0.36) HTTKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL3705454 0.70 LPAR1 (0.40) HTTKDM4EMAPTLPAR1LPAR3
SCHEMBL29154153 0.70 MAPT (0.41) HTTKDM4EMAPTLPAR1LPAR3

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
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 EP disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 US disclosed
EP-3853232-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
WO-2020060914-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 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 (1 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-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 HTT 3865/4885KDM4E 4479/4885MAPT 924/4885

“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.