SCHEMBL2921402

SCHEMBL2921402

O=S(=O)(Cc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
HSD17B10 Q99714 1/20 0.68
DAO P14920 1/20 0.53
MAPT P10636 2/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ESR1 P03372 2/20 0.51
MMP2 P08253 2/20 0.51
CA2 P00918 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 2/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
LMNA P02545 2/20 0.47
NAMPT P43490 1/20 0.47
FAAH O00519 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 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
SCHEMBL11114440 0.92 MAPT (0.61) TSHRHSD17B10DAOMAPTFNTA
SCHEMBL21510835 0.90 CA2 (0.55) TSHRHSD17B10MAPTFNTAFNTB
SCHEMBL11048869 0.90 CA2 (0.55) TSHRHSD17B10MAPTFNTAFNTB
SCHEMBL9115481 0.86 TSHR (0.51) TSHRHSD17B10DAOMAPTFNTA
Benzylsulfonylbenzene SCHEMBL780337 0.85 TSHR (0.68) TSHRHSD17B10DAOMAPTMMP2
Benzylsulfonylbenzene SCHEMBL1877584 0.83 TSHR (0.66) TSHRHSD17B10DAOMAPTMMP2
SCHEMBL11827401 0.81 TSHR (1.00) TSHRHSD17B10MAPTCA2SMN1; SMN2
SCHEMBL2919278 0.81 LOX (0.51) TSHRHSD17B10FNTAFNTBESR1
SCHEMBL2922447 0.81 POLB (0.49) TSHRHSD17B10MAPTESR1MMP2
SCHEMBL28887988 0.81 MAPT (0.57) TSHRHSD17B10MAPTESR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO disclosed
EP-0112291-B1 HEAT-SENSITIVE REGISTRATION MATERIAL CIBA-GEIGY AG (CH) 1987-01-28 EP disclosed
US-4611072-A Heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1986-09-09 US disclosed
US-4536779-A PHENOLSULFONYL SALT AS DEVELOPER FOR COLOR FORMER CIBA-GEIGY CORPORATION (US) 1985-08-20 US disclosed
EP-0067793-B1 PRESSURE OR HEAT SENSITIVE RECORDING MATERIALS CIBA-GEIGY AG (CH) 1985-04-17 EP disclosed
EP-0112291-A2 Heat-sensitive registration material CIBA-GEIGY AG (CH) 1984-06-27 EP disclosed
US-4453744-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1984-06-12 US disclosed
EP-0067793-A2 Pressure or heat sensitive recording materials CIBA-GEIGY AG (CH) 1982-12-22 EP disclosed
US-4125368-A Metallized monoazo dyes TOMS RIVER CHEMICAL CORP. (US) 1978-11-14 US disclosed
US-4058515-A Metallized phenyl-azo-naphthol compounds TOMS RIVER CHEMICAL CORPORATION (US) 1977-11-15 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB TSHR 2000/4885HSD17B10 1500/4885DAO 662/4885

“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.