SCHEMBL12568258

SCHEMBL12568258

CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MLYCD O95822 1/20 0.37
GCK P35557 2/20 0.37
GCKR Q14397 2/20 0.37
PPARD Q03181 6/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
APLNR P35414 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CXCR5 P32302 1/20 0.35
CCR6 P51684 1/20 0.35
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.33
KIF11 P52732 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
SCHEMBL4833507 0.81 POLB (0.43) POLBMLYCDPPARDAPLNRHSP90AA1
SCHEMBL6074694 0.81 POLB (0.43) POLBCNR1CNR2MLYCDGCK
SCHEMBL12619939 0.80 POLB (0.45) POLBCNR1CNR2PPARDLOXL2
SCHEMBL12568268 0.77 ALDH1A1 (0.56) POLBGCKGCKRKMT2A
SCHEMBL3126218 0.71 POLB (0.52) POLBCNR1CNR2PPARDKMT2A
SCHEMBL16263907 0.69 CFTR (0.61) POLBCNR1CNR2PPARDKMT2A
SCHEMBL28654691 0.69 POLB (0.49) POLBCNR1CNR2PPARDKMT2A
SCHEMBL3134847 0.68 POLB (0.56) POLBPPARDKMT2A
SCHEMBL1300785 0.68 POLB (0.48) POLBCNR1CNR2PPARDKMT2A
SCHEMBL2702353 0.68 CA1 (0.55) POLBCNR1CNR2PPARDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 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-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD POLB 2266/4885CNR1 411/4885CNR2 316/4885

“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.