SCHEMBL10104745

SCHEMBL10104745

CCOc1ccc2oc(=O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 1/20 0.53
MAOA P21397 5/20 0.51
MAOB P27338 5/20 0.51
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL2129509 0.87 MAOA (0.66) ALDH1A1KMT2AMAOAMAOBKDM4E
SCHEMBL2102718 0.81 ALDH1A1 (0.69) ALDH1A1KMT2APOLBMAOAMAOB
SCHEMBL19771472 0.81 ALDH1A1 (0.51) ALDH1A1KMT2APOLBMAOAMAOB
SCHEMBL5878902 0.80 CA12 (0.56) ALDH1A1KMT2APOLBMAOAMAOB
SCHEMBL17858299 0.79 MAOB (0.80) ALDH1A1KMT2AMAOAMAOBKDM4E
SCHEMBL20893512 0.77 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMAOAMAOB
SCHEMBL11206183 0.77 ALDH1A1 (0.60) ALDH1A1KMT2APOLBKDM4EHPGD
SCHEMBL21063853 0.75 KMT2A (0.47) ALDH1A1KMT2APOLBMAOAMAOB
SCHEMBL11223679 0.73 ALDH1A1 (0.52) ALDH1A1KMT2APOLBKDM4EHPGD
SCHEMBL11215076 0.73 KMT2A (0.55) ALDH1A1KMT2APOLBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993543-B2 Diphenyl sulfide derivative and pharmaceutical product which contains same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993543-B2 Diphenyl sulfide derivative and pharmaceutical product which contains same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 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-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-03 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 (2 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
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 ALDH1A1 999/4885KMT2A 3937/4885POLB 4640/4885

“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.