SCHEMBL22262501

SCHEMBL22262501

O=C(O)c1cc(Br)ncc1OCC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.49
▸ SCN9A Q15858 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ GRM4 Q14833 7/20 0.37
▸ DHFR P00374 1/20 0.37
▸ DCPS Q96C86 1/20 0.37
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL30756644 0.90 PIM1 (0.43) XDHKDM4CPIM1PIM2MAP4K4
SCHEMBL32667253 0.88 MAP4K4 (0.48) XDHIRAK4PIM1PIM2MAP4K4
SCHEMBL22262261 0.88 OPRK1 (0.47) XDHSCN9AIRAK4GRM4BRD4
SCHEMBL32667108 0.86 IRAK4 (0.39) XDHIRAK4PIM1PIM2MAP4K4
SCHEMBL32667179 0.83 PRKAB2 (0.40) XDHSCN9AIRAK4
SCHEMBL30756207 0.78 TSHR (0.35) XDHSCN9APIM1PIM2MAP4K4
SCHEMBL2488718 0.76 SYK (0.41) XDHKDM4CPIM1PIM2MAP4K4
SCHEMBL22262263 0.76 XDH (0.44) XDHSCN9AIRAK4PIM1PIM2
SCHEMBL17835490 0.75 XDH (0.48) XDHSCN9AKDM4CIRAK4PIM1
SCHEMBL20476485 0.75 ALDH1A1 (0.50) XDHPTGER1DHFRDCPSBRD4

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-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-26 — — US disclosed
CN-111094267-B Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2022-06-14 — — CN disclosed
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 — — EP disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 — — US disclosed
CN-111094267-A Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2020-05-01 — — CN 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB XDH 2362/4885SCN9A 1144/4885KDM4C 2173/4885
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB XDH 2362/4885SCN9A 1144/4885KDM4C 2173/4885

“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.

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