SCHEMBL509550

SCHEMBL509550

CCC(=O)CC(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.37
RAB9A P51151 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.32
GLA P06280 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10984628 0.91 CES2 (0.42) TDP1RAB9AALDH1A1HSD11B1SMN1; SMN2
SCHEMBL509262 0.80 KMT2A (0.39) TDP1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7640492 0.78 HAO1 (0.50) KMT2A
SCHEMBL256670 0.77
SCHEMBL6827056 0.77 LDHA (0.38) KMT2AMEN1LMNAFFAR3GLA
SCHEMBL13062123 0.77 TDP1 (0.43) TDP1RAB9AFFAR3ALDH1A1HSD11B1
SCHEMBL9499959 0.77 NPSR1 (0.41) KMT2ARAB9ANPSR1MEN1ALDH1A1
SCHEMBL6710648 0.77 GAA (0.41) KMT2ALMNASMN1; SMN2
SCHEMBL221424 0.76
SCHEMBL5796647 0.73 NAAA (0.43) RAB9AALDH1A1HSD11B1SMN1; 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527341-B1 Process for preparation of pyrimidinylpyrazole compounds SHISEIDO CO LTD (JP) 2014-06-18 EP disclosed
US-8592582-B2 Method for producing pyrimidinylpyrazole compounds SHISEIDO COMPANY, LTD. (JP) 2013-11-26 US disclosed
US-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds SHISEIDO COMPANY, LTD. (JP) 2012-11-08 US disclosed
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-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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 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-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds DCK, IFNG, QDPR TDP1 3688/4885KMT2A 1896/4885RAB9A 814/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 TDP1 91/4885KMT2A 3169/4885RAB9A 1967/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD TDP1 112/4885KMT2A 3500/4885RAB9A 2321/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 TDP1 68/4885KMT2A 3782/4885RAB9A 2224/4885

“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.