SCHEMBL6286312

SCHEMBL6286312

CS(=O)(=O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
CA2 P00918 4/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 3/20 0.50
TAAR1 Q96RJ0 2/20 0.47
GSTP1 P09211 1/20 0.44
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
CYP19A1 P11511 2/20 0.42
AKT1 P31749 1/20 0.42
FFAR1 O14842 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL19845815 0.92 CA2 (0.52) IDO1AGXTCA2CA9CA1
SCHEMBL249386 0.88 CA2 (0.63) IDO1AGXTCA2CA9CA1
Benzene SCHEMBL27447210 0.88 CA2 (0.63) IDO1AGXTCA2CA9CA1
SCHEMBL4952656 0.85 CA2 (0.58) AGXTCA2CA9CA1LMNA
SCHEMBL14125769 0.85 CA2 (0.61) AGXTCA2CA9CA1LMNA
SCHEMBL6279539 0.85 UCHL1 (0.46) IDO1AGXTCA2CA9CA1
SCHEMBL9502200 0.85 CA2 (0.55) IDO1CA2CA9CA1LMNA
Formaldehyde SCHEMBL28740532 0.84 CA2 (0.59) IDO1AGXTCA2CA9CA1
Ethyne SCHEMBL28196610 0.84 CA2 (0.59) IDO1AGXTCA2CA9CA1
SCHEMBL3875829 0.83 MEN1 (0.51) CA2CA9CA1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551611-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 EP disclosed
US-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-08-20 US disclosed
WO-2018107158-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 WO disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US disclosed
CN-101362708-B Synthesis method of tert-butyl- [2- (biphenyl-4-yl) -1- (hydroxymethyl) ethyl ] carbamate UNIV ZHEJIANG TECHNOLOGY 2012-05-16 CN disclosed
CN-101362708-A Synthesis method of tert-butyl-[2-(biphenyl-4-yl)-1-(hydroxymethyl)ethyl] carbamate UNIV ZHEJIANG TECHNOLOGY (CN) 2009-02-11 CN disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (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-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, MAOB, LTB4R IDO1 330/4885AGXT 2313/4885CA2 1854/4885
US-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM IDO1 1102/4885AGXT 1160/4885CA2 656/4885
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, MAOB, LTB4R IDO1 330/4885AGXT 2313/4885CA2 1854/4885

“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.