SCHEMBL1964065

SCHEMBL1964065

COC(=O)c1cnc(OC(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
MAPK1 P28482 3/20 0.41
ATM Q13315 1/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR4 O95977 1/20 0.41
P2RY12 Q9H244 2/20 0.40
S1PR1 P21453 3/20 0.40
S1PR5 Q9H228 2/20 0.40
LMNA P02545 1/20 0.40
SCN9A Q15858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
ACACB O00763 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PSMD14 O00487 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL401766 0.88 P2RY12 (0.45) RORCS1PR3P2RY12S1PR1S1PR5
SCHEMBL4534363 0.87 MAPK1 (0.41) RORCMAPK1ATMS1PR3S1PR4
SCHEMBL10088913 0.85 S1PR3 (0.43) RORCMAPK1ATMS1PR3S1PR4
SCHEMBL3952670 0.85 S1PR3 (0.43) RORCMAPK1ATMS1PR3S1PR4
SCHEMBL404384 0.84 RORC (0.45) RORCS1PR3S1PR1S1PR5SCN9A
SCHEMBL1013088 0.84 RORC (0.42) RORCS1PR3S1PR1S1PR5SCN9A
SCHEMBL1425265 0.84 MAPK1 (0.46) MAPK1ATMS1PR3S1PR4P2RY12
SCHEMBL1963502 0.83 PARP10 (0.44) RORCS1PR3S1PR1S1PR5LMNA
SCHEMBL10088650 0.83 ATM (0.46) MAPK1ATMLMNAKDM4EL3MBTL1
SCHEMBL12391388 0.83 P2RY12 (0.40) RORCMAPK1ATMS1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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 (4 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 RORC 173/4885MAPK1 2258/4885ATM 3448/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 RORC 249/4885MAPK1 790/4885ATM 3254/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 RORC 136/4885MAPK1 780/4885ATM 2688/4885
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 RORC 344/4885MAPK1 1315/4885ATM 2205/4885

“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.