SCHEMBL17200809

SCHEMBL17200809

O=c1[nH]c(=S)[nH]c(O)c1Cc1c(O)[nH]c(=S)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.58
▸ MAPT P10636 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ SIRT2 Q8IXJ6 3/20 0.40
▸ SIRT1 Q96EB6 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ SIRT5 Q9NXA8 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
SCHEMBL11735771 0.73 RPS6KA3 (0.47) ERAP1MAPTTDP1MEN1POLB
SCHEMBL25453459 0.63 RPS6KA3 (0.58) MAPTTDP1MEN1POLBKMT2A
SCHEMBL9872008 0.62 KDM4E (0.61) MAPTTDP1MEN1POLBKMT2A
SCHEMBL17383120 0.61 ALDH1A1 (0.64) MAPTTDP1MEN1POLBKMT2A
SCHEMBL1227933 0.61 KDM4E (0.59) MAPTTDP1MEN1POLBKMT2A
SCHEMBL17383088 0.61 MAPT (0.41) ERAP1MAPTTDP1MEN1POLB
SCHEMBL11737794 0.58 KDM4E (0.43) TDP1MEN1POLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7380714 0.58 KDM4E (0.40) MAPTTDP1MEN1POLBKMT2A
SCHEMBL6632608 0.57 KDM4E (0.69) MAPTTDP1MEN1POLBKMT2A
SCHEMBL2787496 0.55 ALDH1A1 (1.00) MAPTTDP1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 — — EP 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

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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 ERAP1 3696/4885MAPT 3576/4885TDP1 1869/4885

“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.

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