SCHEMBL3415898

SCHEMBL3415898

CC(=O)c1ccc(NC(=O)O)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PRKCI P41743 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.46
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
AKR1C3 P42330 7/20 0.45
AKR1C2 P52895 7/20 0.45
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL29808947 0.87 HDAC1 (0.73) HDAC1HDAC6PRKCISMN1; SMN2MAPT
SCHEMBL6106476 0.87 HDAC1 (0.73) HDAC1HDAC6PRKCISMN1; SMN2MAPT
SCHEMBL24890726 0.83 MAPT (0.57) HDAC1HDAC6SMN1; SMN2MAPTGAA
SCHEMBL478495 0.83 HDAC1 (0.54) HDAC1HDAC6PRKCISMN1; SMN2MAPT
SCHEMBL7532007 0.81 HDAC1 (0.53) HDAC1HDAC6PRKCISMN1; SMN2MAPT
SCHEMBL19405908 0.80 NPC1 (0.50) PRKCIMAPTABCC9ABCC8KCNJ11
SCHEMBL22583742 0.79 HDAC1 (0.49) HDAC1HDAC6SMN1; SMN2MAPTNPC1
SCHEMBL8367216 0.79 HDAC1 (0.71) HDAC1HDAC6SMN1; SMN2MAPTABCC9
SCHEMBL31501240 0.78 CYP17A1 (0.60) HDAC1HDAC6PRKCISMN1; SMN2MAPT
SCHEMBL478852 0.78 CYP17A1 (0.60) HDAC1HDAC6PRKCISMN1; SMN2MAPT

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
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2006-08-10 US disclosed
EP-1641752-A1 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2006-04-05 EP disclosed
WO-2004110997-A1 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-12-23 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-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 HDAC1 511/4885HDAC6 1268/4885PRKCI 3289/4885

“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.