SCHEMBL15217880

SCHEMBL15217880

Cc1c(O)ccc2c(-c3ccccc3C(=O)O)c3ccc4cc(=O)ccc4c3oc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.76
GNG2 P59768 2/20 0.47
GNB1 P62873 2/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
PTPN7 P35236 1/20 0.43
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 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
SCHEMBL10059473 0.86 SOS1 (1.00) SOS1GNG2GNB1PTPN7KDM4E
SCHEMBL24274926 0.83 GNG2 (0.54) SOS1GNG2GNB1CA12CA9
SCHEMBL10175951 0.83 SOS1 (0.72) SOS1GNG2GNB1PTPN7KDM4E
SCHEMBL10145463 0.83 SOS1 (0.72) SOS1GNG2GNB1PTPN7KDM4E
SCHEMBL2737206 0.81 SOS1 (0.85) SOS1GNG2GNB1CA12CA9
SCHEMBL13648665 0.81 SOS1 (0.76) SOS1GNG2GNB1PTPN7KDM4E
SCHEMBL10145570 0.80 SOS1 (0.78) SOS1GNG2GNB1CA9PTPN7
SCHEMBL2737169 0.78 SOS1 (0.66) SOS1GNG2GNB1KDM4EHPGD
SCHEMBL13648666 0.78 SOS1 (0.65) SOS1GNG2GNB1PTPN7KDM4E
SCHEMBL13648663 0.77 SOS1 (0.67) SOS1GNG2GNB1PTPN7HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9506929-B2 Selective detection of amino group containing thiols PORTLAND STATE UNIVERSITY (US) 2016-11-29 US disclosed
US-9506929-B2 Selective detection of amino group containing thiols PORTLAND STATE UNIVERSITY (US) 2016-11-29 US disclosed
US-20150010938-A1 SELECTIVE DETECTION OF THIOLS OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-08 US disclosed
US-20150010938-A1 SELECTIVE DETECTION OF THIOLS OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-08 US disclosed
WO-2013126816-A1 SELECTIVE DETECTION OF THIOLS OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-08-29 WO 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-20150010938-A1 SELECTIVE DETECTION OF THIOLS CBS, CTH, GSTM2 SOS1 916/4885GNG2 404/4885GNB1 567/4885

“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.