SCHEMBL509995

SCHEMBL509995

CCC(=O)C(Oc1cccc(C#N)c1)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.46
MCHR1 Q99705 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
GSK3B P49841 2/20 0.42
P4HB P07237 1/20 0.41
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.41
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40

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
SCHEMBL14841645 0.86 RAB9A (0.36) MGLLSMN1; SMN2
SCHEMBL14881197 0.81 MGLL (0.37) MGLLFFAR1SMN1; SMN2CNR2
SCHEMBL9392631 0.78 ACHE (0.56) MGLLMCHR1PDCD1CD274GSK3B
SCHEMBL689748 0.78 SMN1; SMN2 (0.54) MGLLMCHR1FFAR1SMN1; SMN2
SCHEMBL5650368 0.78 GPR35 (0.38) MGLLMCHR1SMN1; SMN2
SCHEMBL6670727 0.76 MGLL (0.51) MGLLGSK3BP4HBPRSS1ACR
SCHEMBL6296853 0.75 PPARG (0.58) MGLLMCHR1FFAR1SMN1; SMN2
SCHEMBL757193 0.75 MGLL (0.54) MGLLGSK3BPRSS1ACR
SCHEMBL20325399 0.75 MGLL (0.42) MGLLMCHR1PDCD1CD274P4HB
SCHEMBL4108959 0.75 MGLL (0.45) MGLLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 MGLL 4393/4885MCHR1 4607/4885PDCD1 680/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MGLL 4333/4885MCHR1 4727/4885PDCD1 382/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MGLL 4304/4885MCHR1 4820/4885PDCD1 208/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MGLL 4518/4885MCHR1 4618/4885PDCD1 202/4885

“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.