SCHEMBL3169082

SCHEMBL3169082

NC(=S)NCC1CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 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
SCHEMBL25204166 0.77 CYP2D6 (0.46) TDP1KCNH2ALDH1A1CYP3A4MAPK1
SCHEMBL13885785 0.77 KMT2A (0.41) TDP1KCNH2ALDH1A1CYP3A4MAPK1
SCHEMBL1960773 0.77
SCHEMBL8391864 0.73 TDP1 (0.48) TDP1ALDH1A1KMT2AMEN1
SCHEMBL12639970 0.72 GPR119 (0.35) KCNH2ALDH1A1CYP3A4MAPK1CYP2C19
SCHEMBL2282942 0.71 EPHX1 (0.50) TDP1ALDH1A1KMT2AMEN1
SCHEMBL25833953 0.71 EPHX1 (0.50) TDP1ALDH1A1KMT2AMEN1
SCHEMBL1605066 0.71 EPHX1 (0.50) TDP1ALDH1A1KMT2AMEN1
SCHEMBL2150521 0.70 KDM4E (0.41) ALDH1A1MAPK1
SCHEMBL31501258 0.69 KCNH2 (0.38) KCNH2ALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
EP-2016063-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE Chroma Therapeutics Limited (GB) 2009-01-21 EP disclosed
WO-2007129048-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129048-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 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-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE NR4A3, NR2E1, NR2E3 TDP1 2389/4885KCNH2 2814/4885ALDH1A1 3271/4885

“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.