SCHEMBL20870366

SCHEMBL20870366

COC(=O)c1nc(Br)ccc1OCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
CNR2 P34972 7/20 0.41
RORC P51449 4/20 0.41
BRD4 O60885 1/20 0.41
CNR1 P21554 4/20 0.39
S1PR4 O95977 1/20 0.39
DHFR P00374 1/20 0.39
DCPS Q96C86 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCN9A Q15858 1/20 0.39
LRRK2 Q5S007 1/20 0.38
OPRK1 P41145 1/20 0.38
ACACB O00763 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
SCHEMBL29660019 1.00 XDH (0.41) XDHCNR2RORCBRD4CNR1
SCHEMBL20870363 0.82 SCN9A (0.42) XDHCNR2RORCBRD4S1PR4
SCHEMBL29660079 0.82 SCN9A (0.42) XDHCNR2RORCBRD4S1PR4
SCHEMBL387265 0.79 GPR119 (0.47)
SCHEMBL22262230 0.78 L3MBTL1 (0.40) XDHCNR2RORCBRD4CNR1
SCHEMBL27067252 0.77 PDE4D (0.45)
SCHEMBL2490015 0.76 KMT2A (0.45) S1PR4
SCHEMBL22262261 0.76 OPRK1 (0.47) XDHRORCBRD4IRAK4SCN9A
SCHEMBL29964807 0.76 CNR2 (0.42) CNR2CNR1LRRK2OPRK1
SCHEMBL10176150 0.76 KDM4E (0.51)

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 7 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
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
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB XDH 2362/4885CNR2 492/4885RORC 1/4885
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB XDH 2362/4885CNR2 492/4885RORC 1/4885

“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.