SCHEMBL2586909

SCHEMBL2586909

CCC(OS(C)(=O)=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
ALDH1A1 P00352 4/20 0.39
EPHX1 P07099 3/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8671796 0.98 SHBG (0.41) SHBGALDH1A1EPHX1
SCHEMBL17801238 0.94 ALDH1A1 (0.41) SHBGALDH1A1
SCHEMBL11252150 0.90 ALDH1A1 (0.44) SHBGALDH1A1
SCHEMBL7026681 0.86 SHBG (0.41) SHBGALDH1A1EPHX1
SCHEMBL1672558 0.77 ALDH1A1 (0.50) SHBGALDH1A1EPHX1CA12CA1
SCHEMBL3315393 0.76 SHBG (0.54) SHBGALDH1A1EPHX1TSHRMEN1
SCHEMBL29101111 0.76 SHBG (0.54) SHBGALDH1A1EPHX1TSHRMEN1
SCHEMBL21938074 0.74 SHBG (0.52) SHBGALDH1A1EPHX1TSHRMEN1
SCHEMBL9673176 0.74 ALDH1A1 (0.52) SHBGALDH1A1EPHX1CA12CA1
SCHEMBL4555813 0.73 ALDH1A1 (0.41) SHBGALDH1A1EPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
CN-103180322-A Pyrazole compounds as jak inhibitors CELLZOME LTD 2013-06-26 CN disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 WO disclosed
EP-0559345-B1 Polycyclic dyes BASF AG (DE) 1999-05-06 EP disclosed
US-5319109-A Polycyclic dyes ZENECA LIMITED (GB) 1994-06-07 US disclosed
EP-0559345-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-09-08 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 SHBG 2444/4885ALDH1A1 372/4885EPHX1 925/4885
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 SHBG 4182/4885ALDH1A1 1310/4885EPHX1 3173/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 SHBG 2444/4885ALDH1A1 372/4885EPHX1 925/4885

“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.