SCHEMBL2129509

SCHEMBL2129509

CCOc1ccc2sc(=O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.66
MAOB P27338 6/20 0.66
CYP1A2 P05177 3/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
CA2 P00918 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL10104745 0.87 ALDH1A1 (0.53) MAOAMAOBCYP1A2CA12CA1
SCHEMBL3802319 0.81 MAOA (0.58) MAOAMAOBCA12CA1CA4
SCHEMBL5749669 0.80 MAOB (0.60) MAOAMAOBCA12CA1CA9
SCHEMBL3567204 0.80 MAOA (0.60) MAOAMAOBCYP1A2HPGDMAPT
SCHEMBL30273046 0.79 MAOB (1.00) MAOAMAOBCA12CA1CA4
SCHEMBL3122335 0.79 MAOB (1.00) MAOAMAOBCA12CA1CA4
SCHEMBL2130280 0.77 MAOA (0.55) MAOAMAOBHPGDMAPTCA2
SCHEMBL8238157 0.77 MAOA (0.55) MAOAMAOBCA12CA1CA9
SCHEMBL9610688 0.76 KDM4E (0.55) MAOAMAOBCA12CA9HPGD
SCHEMBL9610695 0.75 MAOA (0.49) MAOAMAOBHPGDMAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657241-B1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2017-07-12 EP 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
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
EP-2657241-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2013-10-30 EP 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
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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 (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-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 MAOA 2883/4885MAOB 2931/4885CYP1A2 2584/4885
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 MAOA 2732/4885MAOB 2583/4885CYP1A2 1567/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 MAOA 358/4885MAOB 822/4885CYP1A2 20/4885

“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.