SCHEMBL16642002

SCHEMBL16642002

CCS(=O)(=O)c1cccc(C(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.50
CA2 P00918 4/20 0.39
BRD4 O60885 2/20 0.39
HSD11B1 P28845 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GAA P10253 1/20 0.37
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL10179501 0.87 PSIP1 (0.52) PSIP1CA2BRD4HSD11B1HDAC4
SCHEMBL10179856 0.85 HDAC4 (0.53) PSIP1CA2BRD4HSD11B1HDAC4
SCHEMBL18685337 0.84 PSIP1 (0.48) PSIP1CA2BRD4HSD11B1HDAC4
SCHEMBL18713459 0.81 PSIP1 (0.50) PSIP1BRD4HSD11B1HDAC4HDAC2
SCHEMBL22181477 0.81 ALDH1A1 (0.46) CA2GAATRPV4ALDH1A1
SCHEMBL17263850 0.80 PSIP1 (0.68) PSIP1CA2BRD4HSD11B1GAA
SCHEMBL18602273 0.78 PSIP1 (0.43) PSIP1CA2BRD4HSD11B1HDAC4
SCHEMBL12302897 0.78 PSIP1 (0.43) PSIP1CA2BRD4HSD11B1HDAC4
SCHEMBL23364593 0.77 CA2 (0.61) CA2
SCHEMBL22545458 0.77 CA2 (0.38) CA2HSD11B1TRPV4

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-20150105396-A1 Chemical Compounds PFIZER LTD (GB) 2015-04-16 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-20150105396-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 PSIP1 3000/4885CA2 599/4885BRD4 803/4885

“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.