SCHEMBL9920883

SCHEMBL9920883

O=C(/N=C(/Nc1cc(C(F)(F)F)n[nH]1)NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
DGAT2 Q96PD7 2/20 0.36
GSK3B P49841 1/20 0.36
KCNH2 Q12809 1/20 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
SCHEMBL9921026 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1POLBDGAT2GSK3B
SCHEMBL9921137 0.87 CCNA2 (0.41) ALDH1A1MAPTHTTLMNA
SCHEMBL17089705 0.84 HDAC4 (0.41) GSK3BKCNH2
SCHEMBL19041506 0.83 CCNA2 (0.35)
SCHEMBL9920882 0.81 CNR2 (0.39) MAPTGSK3BKCNH2
SCHEMBL9920693 0.79 TRPV1 (0.42) KMT2AHTTLMNA
SCHEMBL9920699 0.79 TRPV1 (0.40) KMT2AHTTLMNA
SCHEMBL19362753 0.78 CCNA2 (0.39) L3MBTL1KDM4EKMT2AHTT
SCHEMBL19362654 0.78 TRPV1 (0.42) KCNH2
SCHEMBL9920869 0.78 NPC1 (0.42) POLBGAAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME ALDH1A1 2132/4885L3MBTL1 3455/4885POLB 771/4885

“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.