SCHEMBL9900899

SCHEMBL9900899

CS(=O)(=O)c1cc(C(=O)Cl)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.40
CCR2 P41597 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SLC9A1 P19634 1/20 0.37
SLC9A2 Q9UBY0 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
SCHEMBL15465419 0.86 CCR2 (0.42) PTGS2CCR2CES2CES1
SCHEMBL2593426 0.84 PTK2B (0.58) PTK2BSMN1; SMN2PTGS2
SCHEMBL15836200 0.84 CMA1 (0.43) PTK2BSMN1; SMN2PTGS2CES2CES1
SCHEMBL940704 0.84 PTK2B (0.43) PTK2BSMN1; SMN2CES2CES1TP53
SCHEMBL18948550 0.83 PTK2B (0.40) PTK2BSMN1; SMN2TP53MAPT
SCHEMBL31400646 0.82 ACLY (0.50) PTK2BSLC9A1SLC9A2
SCHEMBL20084009 0.82 ACLY (0.50) PTK2BSLC9A1SLC9A2
SCHEMBL19157383 0.82 PTK2B (0.43) PTK2BSMN1; SMN2PTGS2CCR2CES2
SCHEMBL11169516 0.82 PTK2B (0.42) PTK2BSMN1; SMN2CES2CES1TP53
SCHEMBL31377421 0.81 MAPT (0.41) PTK2BSMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
US-20130331392-A1 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2013-12-12 US disclosed
EP-2648736-A2 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078867-A2 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed
WO-2012078867-A2 CYCLOALKYL 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-20130331392-A1 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME PTK2B 4242/4885SMN1; SMN2 4396/4885PTGS2 843/4885

“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.