SCHEMBL3300053

SCHEMBL3300053

CC(C)c1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AR P10275 1/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL3294605 0.88 CKS1B (0.51) PPIAALDH1A1HPGDARLMNA
SCHEMBL3296693 0.86 FFAR4 (0.52) PPIAALDH1A1HPGDARLMNA
SCHEMBL3300175 0.85 FFAR4 (0.46) PPIAALDH1A1HPGDARLMNA
SCHEMBL3294006 0.84 NPC1 (0.50) PPIAALDH1A1TSHRADRB2ADRB1
SCHEMBL3294323 0.84 GLO1 (0.48) PPIAALDH1A1HPGDARHSP90AA1
SCHEMBL3293802 0.83 FFAR1 (0.52) PPIALMNASMN1; SMN2TSHRFFAR4
SCHEMBL3291973 0.82 PGR (0.50) PPIAALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL20627704 0.80 PPIA (0.53) PPIAAR
SCHEMBL3294918 0.80 AR (0.60) PPIAARCYP19A1
SCHEMBL3293015 0.75 PTGDR2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 PPIA 4601/4885ALDH1A1 2497/4885HPGD 1188/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PPIA 4601/4885ALDH1A1 2497/4885HPGD 1188/4885

“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.