SCHEMBL21079169

SCHEMBL21079169

CC(C)Oc1ccc(C#N)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.49
S1PR1 P21453 2/20 0.46
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL16958008 0.88 XDH (0.46) XDHS1PR1KDM4EUSP2ALDH1A1
SCHEMBL6112880 0.88 XDH (0.46) XDHS1PR1KDM4EUSP2ALDH1A1
SCHEMBL16954817 0.88 XDH (0.40) XDHS1PR1
SCHEMBL6113065 0.82 S1PR1 (0.47) XDHS1PR1
SCHEMBL9034199 0.81 XDH (0.49) XDHKDM4EUSP2ALDH1A1
SCHEMBL13193178 0.81 XDH (0.49) XDHS1PR1KDM4EUSP2ALDH1A1
SCHEMBL10088433 0.81 AR (0.44) XDHALDH1A1
SCHEMBL6113250 0.80 S1PR1 (0.56) XDHS1PR1
SCHEMBL22272207 0.80 XDH (0.48) XDHKDM4EUSP2ALDH1A1
SCHEMBL1293570 0.80 XDH (0.48) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
CN-107674040-B Method for converting febuxostat impurities into febuxostat 天津力生制药股份有限公司 2021-02-19 CN disclosed
CN-110156698-A The preparation method and purposes of 2- phenyl -1,6- dihydro-pyrimidin -5- formic acid derivates 沈阳海诺威医药科技有限公司 2019-08-23 CN disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 XDH 3628/4885S1PR1 1/4885KDM4E 3986/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 XDH 3628/4885S1PR1 1/4885KDM4E 3986/4885

“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.