SCHEMBL788244

SCHEMBL788244

O=S(=O)(Cl)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA2 P17301 1/20 0.47
KAT6A Q92794 1/20 0.47
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
PFKFB3 Q16875 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.41
AGXT P21549 1/20 0.41
CNR1 P21554 1/20 0.41
PTGS2 P35354 4/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL14120305 0.87 PTPN1 (0.46) KAT6ACA12CA2CA9ALDH1A1
SCHEMBL10408548 0.86 ALDH1A1 (0.56) MAOBCA12CA2CA9PFKFB3
SCHEMBL297270 0.84 ALDH1A1 (0.62) KAT6ACA12CA2CA9PFKFB3
SCHEMBL787675 0.83 CA2 (0.49) MAOAMAOBKAT6ACA12CA2
SCHEMBL788431 0.81 MAOA (0.48) MAOAMAOBCA12CA2CA9
SCHEMBL14120185 0.81 TAAR1 (0.53) CA12CA2CA9ALDH1A1HSD17B10
SCHEMBL27990769 0.81 MAOA (0.68) MAOAMAOBCA12CA2CA9
SCHEMBL5831675 0.81 PTGS2 (0.56) MAOAMAOBITGB1ITGA2KAT6A
SCHEMBL3460286 0.81 ITGB1 (0.50) MAOAMAOBITGB1ITGA2KAT6A
SCHEMBL9996829 0.81 KIF11 (0.54) CA2PFKFB3PTPN1AGXTNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501772-A Synthetic method of biphenyl-3-sulfonyl chloride derivative 上海毕得医药科技股份有限公司 2021-10-15 CN disclosed
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
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP 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
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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 (4 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 MAOA 2190/4885MAOB 2305/4885ITGB1 2856/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B MAOA 4185/4885MAOB 3026/4885ITGB1 2/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 MAOA 2539/4885MAOB 2085/4885ITGB1 1906/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 MAOA 963/4885MAOB 1104/4885ITGB1 4028/4885

“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.