SCHEMBL896777

SCHEMBL896777

CCC(C(=O)O)c1ncc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.44
AKR1C2 P52895 13/20 0.44
AGBL2 Q5U5Z8 1/20 0.41
AKR1C1 Q04828 2/20 0.37
PTGS1 P23219 1/20 0.37
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
PTGER4 P35408 1/20 0.34
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL29009827 0.84 AKR1C3 (0.39) AKR1C3AKR1C2AGBL2AKR1C1PTGS1
SCHEMBL29009971 0.84 AKR1C3 (0.42) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL895856 0.84 S1PR3 (0.43) AKR1C3AKR1C2
SCHEMBL29009806 0.75 AKR1C3 (0.40) AKR1C3AKR1C2AGBL2AKR1C1PTGS1
SCHEMBL12985302 0.75 MAPT (0.38) AKR1C3AKR1C2AGBL2PTGER4
SCHEMBL895816 0.74 AKR1C3 (0.41) AKR1C3AKR1C2
SCHEMBL469180 0.74 AGBL2 (0.32) AGBL2
SCHEMBL19965685 0.74 AGBL2 (0.32) AGBL2
SCHEMBL12985296 0.73 MEN1 (0.44) AGBL2CYP1A2CYP3A4CYP2C19
SCHEMBL895506 0.71 L3MBTL1 (0.42) AKR1C3AKR1C2AKR1C1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK AKR1C3 2050/4885AKR1C2 2260/4885AGBL2 1906/4885

“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.