SCHEMBL10104746

SCHEMBL10104746

CC(C)Oc1ccc2oc(=O)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 8/20 0.54
HSD17B10 Q99714 7/20 0.54
ALOX12 P18054 6/20 0.54
TDP1 Q9NUW8 5/20 0.54
KDM4E B2RXH2 5/20 0.54
ALOX15 P16050 4/20 0.54
LMNA P02545 5/20 0.49
PKM P14618 4/20 0.49
MEN1 O00255 4/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 5/20 0.47
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43

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
SCHEMBL2130280 0.87 MAOA (0.55) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL6000133 0.83 ALDH1A1 (0.67) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL2102718 0.81 ALDH1A1 (0.69) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL11214982 0.79 ALDH1A1 (0.62) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL11210057 0.79 ALDH1A1 (0.62) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL2191311 0.78 ALDH1A1 (0.61) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL20893512 0.77 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL10104745 0.77 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL11206183 0.77 ALDH1A1 (0.60) ALDH1A1KMT2APOLBMAPTHSD17B10
SCHEMBL18598105 0.76 KMT2A (0.64) ALDH1A1KMT2APOLBMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 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-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 ALDH1A1 1665/4885KMT2A 3542/4885POLB 4785/4885

“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.