SCHEMBL21358481

SCHEMBL21358481

O=Cc1ccc(B(O)O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 9/20 0.45
ALDH3A1 P30838 1/20 0.45
RAB9A P51151 2/20 0.42
PTGS2 P35354 1/20 0.42
ALDH5A1 P51649 3/20 0.39
ABAT P80404 3/20 0.39
AOX1 Q06278 1/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
TSHR P16473 1/20 0.38
CYP2A6 P11509 2/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ERN1 O75460 2/20 0.34

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
SCHEMBL3783722 0.79 KDM4E (0.50) ALDH1A3KDM4EALDH1A1RAB9APTGS2
SCHEMBL3784501 0.79 KDM4E (0.50) ALDH1A3KDM4EALDH1A1RAB9APTGS2
SCHEMBL4310609 0.78 KDM4E (0.48) ALDH1A3KDM4EALDH1A1RAB9APTGS2
SCHEMBL29957404 0.78 KDM4E (0.48) ALDH1A3KDM4EALDH1A1RAB9APTGS2
SCHEMBL29421523 0.78 ALDH1A1 (0.49) ALDH1A3KDM4EALDH1A1RAB9APTGS2
SCHEMBL789495 0.78 ALDH1A1 (0.49) ALDH1A3KDM4EALDH1A1RAB9APTGS2
SCHEMBL31317426 0.78 KDM4E (0.59) KDM4EALDH1A1RAB9APTGS2ALDH5A1
SCHEMBL28947075 0.78 KDM4E (0.59) KDM4EALDH1A1RAB9APTGS2ALDH5A1
SCHEMBL1711479 0.76 KDM4E (0.47) KDM4EALDH1A1RAB9APTGS2ALDH5A1
SCHEMBL31500180 0.76 ALDH1A1 (0.57) ALDH1A3KDM4EALDH1A1ALDH3A1RAB9A

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
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
EP-3765009-A1 BICYCLIC ROR-GAMMA MODULATORS Escalier Biosciences, BV (US) 2021-01-20 EP disclosed
WO-2019177996-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 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 (3 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-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB ALDH1A3 168/4885KDM4E 3213/4885ALDH1A1 403/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALDH1A3 101/4885KDM4E 3482/4885ALDH1A1 287/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALDH1A3 101/4885KDM4E 3482/4885ALDH1A1 287/4885

“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.