SCHEMBL2139681

SCHEMBL2139681

[NH]S(=O)(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA9 Q16790 6/20 0.63
CA1 P00915 5/20 0.63
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
CA12 O43570 3/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
AGXT P21549 1/20 0.43
CA4 P22748 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 3/20 0.42
FAAH O00519 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
PRSS3 P35030 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28624040 0.81 CA2 (0.68) CA2CA9CA1TSHRIDO1
SCHEMBL561014 0.81 CA2 (0.68) CA2CA9CA1TSHRIDO1
SCHEMBL4602446 0.79 CA2 (0.65) CA2CA9CA1TSHRIDO1
Ammonia Solution, Strong SCHEMBL28824539 0.79 CA2 (0.65) CA2CA9CA1TSHRIDO1
SCHEMBL3070178 0.78 CA2 (0.58) CA2CA9CA1TSHRIDO1
SCHEMBL9869989 0.77 CA2 (0.63) CA2CA9CA1TSHRIDO1
SCHEMBL249386 0.77 CA2 (0.63) CA2CA9CA1TSHRIDO1
SCHEMBL14955045 0.77 CA2 (0.63) CA2CA9CA1TSHRIDO1
SCHEMBL1263515 0.77 CA2 (0.63) CA2CA9CA1TSHRIDO1
SCHEMBL332355 0.77 CA2 (0.63) CA2CA9CA1TSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911516-B1 HOMOGENEOUS ASYMMETRIC HYDROGENATION PROCESS TAKASAGO PERFUMERY CO LTD (JP) 2014-05-14 EP disclosed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
EP-2095875-A1 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2009-09-02 EP disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP 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-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 CA2 2980/4885CA9 2420/4885CA1 2208/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 CA2 2530/4885CA9 1991/4885CA1 1609/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 CA2 2530/4885CA9 1991/4885CA1 1609/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 CA2 2980/4885CA9 2420/4885CA1 2208/4885

“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.