SCHEMBL508962

SCHEMBL508962

CC(=O)C(Oc1cc(C)cc(C#N)c1)C(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
FFAR4 Q5NUL3 1/20 0.33
VEGFA P15692 2/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
TSHR P16473 1/20 0.31
UBE2N P61088 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5156175 0.92 MGLL (0.34) MGLLSLC6A2SLC6A4TSHRUBE2N
SCHEMBL509178 0.83 MGLL (0.34) MGLLSLC6A2SLC6A4UBE2NNPC1
SCHEMBL4731399 0.82 ALDH1A1 (0.38) TSHRNPC1RAB9A
SCHEMBL508703 0.80 MGLL (0.40) MGLLVEGFAKCNH2
SCHEMBL4924063 0.77 ALDH1A1 (0.36) KCNH2TSHRNPC1RAB9A
SCHEMBL10251057 0.74 MGLL (0.30) MGLL
SCHEMBL4733988 0.74 KDM4E (0.40) KCNH2TSHRNPC1RAB9A
SCHEMBL27585148 0.72 MGLL (0.37) MGLLFFAR4VEGFAKCNH2
SCHEMBL4108609 0.72 UBE2N (0.44) UBE2NNPC1RAB9A
SCHEMBL508685 0.71 GAA (0.35) MGLL

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 21 patents — showing the first 20. 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
CN-100408564-C Pyrazole derivatives for treating HIV PFIZER LTD (US) 2008-08-06 CN 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
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
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN 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 4393/4885FFAR4 3884/4885VEGFA 4077/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MGLL 4333/4885FFAR4 4200/4885VEGFA 3932/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MGLL 4304/4885FFAR4 4404/4885VEGFA 3716/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MGLL 4518/4885FFAR4 4269/4885VEGFA 3701/4885

“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.