SCHEMBL23933952

SCHEMBL23933952

O=c1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(NC2CCCCC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.45
EPHX2 P34913 1/20 0.41
CXCR2 P25025 2/20 0.39
CTSC P53634 1/20 0.39
AR P10275 3/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
CCR6 P51684 2/20 0.37
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
SCHEMBL23933954 0.81 RAPGEF4 (0.58) RAPGEF4LMNA
SCHEMBL23868374 0.78 RAPGEF4 (0.39) RAPGEF4
SCHEMBL23453351 0.74 CXCR2 (0.46) RAPGEF4EPHX2CXCR2CTSCCCR6
SCHEMBL18719382 0.74 HDAC1 (0.51) CXCR2CCR6
SCHEMBL18719383 0.74 HDAC1 (0.51) CXCR2CCR6
SCHEMBL14384621 0.74 HDAC1 (0.51) CXCR2CCR6
SCHEMBL23453400 0.74 MAPT (0.50) CXCR2CCR6LMNA
SCHEMBL23453350 0.72 EPHX1 (0.49) EPHX2CXCR2CNR1CNR2CCR6
SCHEMBL24787390 0.72 CXCR2 (0.51) EPHX2CXCR2ARCCR6
SCHEMBL17427558 0.72 FFAR1 (0.42) RAPGEF4LMNA

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-20210324141-A1 METHOD FOR PRODUCING NON-ISOCYANATE POLYURETHANES HENKEL AG & CO. KGAA (DE) 2021-10-21 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-20210324141-A1 METHOD FOR PRODUCING NON-ISOCYANATE POLYURETHANES UROD, IDH3A, SQLE RAPGEF4 3592/4885EPHX2 3485/4885CXCR2 4797/4885

“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.