SCHEMBL6721992

SCHEMBL6721992

CSc1ccc(C(=O)CC(=O)C(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.55
PLOD3 O60568 2/20 0.46
PLOD1 Q02809 2/20 0.46
DDR1 Q08345 1/20 0.37
AR P10275 2/20 0.36
STK17B O94768 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA1 P02708 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
SCHEMBL1925141 0.81 PLOD2 (0.66) PLOD2PLOD3PLOD1TAS1R3TAS1R1
SCHEMBL17290737 0.81 MEN1 (0.48) ARTAS1R3TAS1R1MAPTALDH1A1
SCHEMBL6739948 0.80 PLOD2 (0.51) PLOD2PLOD3PLOD1ARTAS1R3
SCHEMBL10066834 0.80 AR (0.40) ARSTK17BTAS1R3TAS1R1MAPT
SCHEMBL28278468 0.80 MAPT (0.51) ARMAPTALDH1A1HPGDTSHR
SCHEMBL6113125 0.78 PTPN1 (0.50) ARMAPTALDH1A1HPGDTSHR
SCHEMBL29966893 0.78 PTPN1 (0.50) ARMAPTALDH1A1HPGDTSHR
SCHEMBL1924352 0.77 PLOD2 (0.60) PLOD2PLOD3PLOD1TAS1R3TAS1R1
SCHEMBL1924261 0.77 PLOD2 (0.60) PLOD2PLOD3PLOD1TAS1R3TAS1R1
SCHEMBL4029594 0.77 HTT (0.58) PLOD2PLOD3PLOD1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed
WO-1999025695-A1 5-ARYLPYRAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-27 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 (2 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PLOD2 2953/4885PLOD3 4109/4885PLOD1 3066/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PLOD2 2913/4885PLOD3 3985/4885PLOD1 3083/4885

“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.