SCHEMBL13797482

SCHEMBL13797482

COc1ccc(S(=O)(=O)C(C)C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
FFAR4 Q5NUL3 1/20 0.49
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL5809534 0.85 MAPK1 (0.61) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL12180521 0.85 TSHR (0.47) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL26771681 0.84 MAPT (0.51) POLBTSHRMAPK1KMT2AHTT
SCHEMBL17373987 0.84 CA1 (0.59) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL22181448 0.84 LMNA (0.52) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL31568148 0.84 MCOLN3 (0.54) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL15794240 0.84 MAPT (0.61) POLBTSHRMAPK1KMT2ASMN1; SMN2
SCHEMBL4192386 0.81 SMN1; SMN2 (0.51) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL7810581 0.81 ALDH1A1 (0.46) POLBTSHRMAPK1KMT2ALMNA
SCHEMBL8545717 0.80 MAPK1 (0.52) TSHRMAPK1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (3 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 POLB 1939/4885TSHR 1602/4885MAPK1 1/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 POLB 2097/4885TSHR 102/4885MAPK1 3647/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 POLB 2154/4885TSHR 1854/4885MAPK1 3740/4885

“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.