SCHEMBL9997221

SCHEMBL9997221

O=S(=O)(Cl)c1cccc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
PFKFB3 Q16875 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 1/20 0.41
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 2/20 0.40
PTPN1 P18031 1/20 0.40
DUSP3 P51452 1/20 0.40
DAGLA Q9Y4D2 2/20 0.40
KAT6A Q92794 1/20 0.39
CHKA P35790 1/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
MAOB P27338 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
FLT1 P17948 1/20 0.38

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
SCHEMBL10408548 0.88 ALDH1A1 (0.56) PFKFB3ALDH1A1HSD17B10TDP1CA2
SCHEMBL787675 0.85 CA2 (0.49) ALDH1A1HSD17B10TDP1CNR1KAT6A
SCHEMBL297270 0.82 ALDH1A1 (0.62) PFKFB3ALDH1A1HSD17B10TDP1KAT6A
SCHEMBL788390 0.79 PTGES2 (0.52) PFKFB3ALDH1A1HSD17B10TDP1CNR1
Hydrochloric Acid SCHEMBL7571169 0.78 FBP1 (0.47) ALDH1A1HSD17B10TDP1PGR
SCHEMBL14121192 0.78 RXRA (0.48) RXRARXRBALDH1A1HSD17B10TDP1
SCHEMBL16000 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1PGR
SCHEMBL29422524 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1PGR
SCHEMBL3384413 0.77 CA2 (0.53) ALDH1A1HSD17B10TDP1CA2CA9
SCHEMBL14121110 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10TDP1CNR1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 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-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA RXRA 521/4885RXRB 825/4885PFKFB3 952/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 RXRA 214/4885RXRB 245/4885PFKFB3 1657/4885

“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.