SCHEMBL15811526

SCHEMBL15811526

O=S(=O)(Nc1cc(/C=C/C2OCCCO2)c(O)c2c1OCO2)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 11/20 0.69
AKT1 P31749 2/20 0.62
PKM P14618 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BRAF P15056 4/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PGAM1 P18669 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
CCR2 P41597 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL18148188 1.00 CNKSR1 (0.69) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL15811509 0.82 CNKSR1 (1.00) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL17200816 0.82 CNKSR1 (1.00) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL17211653 0.79 CNKSR1 (0.73) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL18147993 0.79 CNKSR1 (0.70) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL15811538 0.79 CNKSR1 (0.70) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL19867308 0.77 CNKSR1 (0.65) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL17211669 0.76 CNKSR1 (0.78) CNKSR1AKT1PKMHSD17B10BRAF
SCHEMBL15811518 0.76 CNKSR1 (1.00) CNKSR1AKT1TSHRMEN1KMT2A
SCHEMBL20798601 0.76 CNKSR1 (0.67) CNKSR1AKT1PKMHSD17B10BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
WO-2014093988-A2 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2014-06-19 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 (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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885AKT1 780/4885PKM 924/4885
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 CNKSR1 1/4885AKT1 936/4885PKM 1384/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885AKT1 780/4885PKM 924/4885

“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.