SCHEMBL22077262

SCHEMBL22077262

O=C(O)CCc1cc2cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.51
S1PR4 O95977 3/20 0.51
S1PR5 Q9H228 3/20 0.51
ADORA3 P0DMS8 1/20 0.50
S1PR3 Q99500 6/20 0.48
S1PR2 O95136 1/20 0.48

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
SCHEMBL22074428 0.92 S1PR1 (0.52) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22077167 0.87 S1PR1 (0.60) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22074559 0.86 S1PR1 (0.61) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22074554 0.85 S1PR1 (0.60) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22074494 0.85 S1PR1 (0.58) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22074425 0.85 S1PR1 (0.51) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22074557 0.83 S1PR1 (0.58) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL24201480 0.81 S1PR1 (0.48) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22077202 0.81 S1PR1 (0.61) S1PR1S1PR4S1PR5ADORA3S1PR3
SCHEMBL22077160 0.80 S1PR1 (0.49) S1PR1S1PR4S1PR5ADORA3S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR4 4/4885S1PR5 5/4885

“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.