SCHEMBL508550

SCHEMBL508550

[CH2]N1CCC(NC(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
EPHX2 P34913 6/20 0.43
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL1705988 0.88 CA1 (0.46) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL508551 0.80 ATM (0.45) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL18091012 0.80 ATM (0.45) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL21452685 0.78 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL14607759 0.78 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL14025208 0.78 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL13654292 0.78 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL14252483 0.78 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL13116784 0.78 CA1 (0.45) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL9893075 0.78 EPHX2 (0.67) EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 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
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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 ATM 3500/4885EPHX2 2974/4885EPHX1 1703/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ATM 3457/4885EPHX2 3117/4885EPHX1 1914/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD ATM 3351/4885EPHX2 3160/4885EPHX1 1938/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ATM 3953/4885EPHX2 3343/4885EPHX1 1650/4885

“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.