SCHEMBL3901604

SCHEMBL3901604

OCc1ccc(C2CCC2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.41
S1PR3 Q99500 6/20 0.41
KIF11 P52732 1/20 0.41
S1PR4 O95977 3/20 0.40
S1PR5 Q9H228 3/20 0.40
NOTUM Q6P988 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
HTR2C P28335 1/20 0.38
OPRL1 P41146 1/20 0.38
S1PR2 O95136 1/20 0.38

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
SCHEMBL31195718 0.97 S1PR1 (0.43) S1PR1S1PR3KIF11S1PR4S1PR5
SCHEMBL1920012 0.97 S1PR1 (0.43) S1PR1S1PR3KIF11S1PR4S1PR5
SCHEMBL3846473 0.95 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL30418848 0.95 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL3910037 0.93 NOTUM (0.44) S1PR1S1PR3KIF11S1PR4S1PR5
SCHEMBL3909468 0.87 KIF11 (0.44) S1PR1KIF11NOTUMHTR2C
SCHEMBL22074501 0.86 OPRL1 (0.43) S1PR1S1PR3KIF11NOTUMHTR2C
SCHEMBL3899152 0.84 KIF11 (0.44) S1PR1S1PR3KIF11NOTUMHTR2C
SCHEMBL22074504 0.84 NOTUM (0.40) S1PR1S1PR3S1PR4S1PR5NOTUM
SCHEMBL31435310 0.84 NOTUM (0.40) S1PR1S1PR3S1PR4S1PR5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed
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
WO-2020114477-A1 COMPOUND ACTING AS IMMUNOMODULATOR, PREPARATION METHOD THEREFOR AND USES THEREOF 上海济煜医药科技有限公司 2020-06-11 WO disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 S1PR1 3/4885S1PR3 1/4885KIF11 3302/4885
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885KIF11 2879/4885

“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.