SCHEMBL2335568

SCHEMBL2335568

Cc1cc(C#N)ccc1N[C@H]1CC[C@@H](C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
MAP2K1 Q02750 1/20 0.39
NOTUM Q6P988 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
RORC P51449 2/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
TNF P01375 4/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
ABL1 P00519 1/20 0.38
PDE4B Q07343 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
FLT3 P36888 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1964260 1.00 JAK2 (0.43) JAK2JAK1TYK2MAP2K1NOTUM
SCHEMBL2341801 0.85 JAK2 (0.43) JAK2JAK1TYK2MAP2K1ALDH1A1
SCHEMBL12391600 0.85 JAK2 (0.43) JAK2JAK1TYK2MAP2K1ALDH1A1
SCHEMBL1966704 0.85 CXCR2 (0.41) NOTUMCXCR1CXCR2TNFIRAK4
SCHEMBL2344279 0.78 EPHX1 (0.47) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL1966247 0.78 EPHX1 (0.47) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL12391596 0.78 EPHX1 (0.47) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL12391599 0.76 HPGD (0.44) JAK2JAK1TYK2CXCR1CXCR2
SCHEMBL23080256 0.75 JAK2 (0.45) JAK2JAK1TYK2MAP2K1IRAK4
SCHEMBL20302207 0.75 KDM4E (0.48) JAK2MAP2K1NOTUMCXCR1CXCR2

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-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

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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 JAK2 2285/4885JAK1 1915/4885TYK2 1863/4885

“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.