SCHEMBL2127459

SCHEMBL2127459

C=CC[C@@](CCc1ccc(Br)cc1Cl)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.41
MAPT P10636 1/20 0.38
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
IDO1 P14902 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3694050 0.91 AAK1 (0.41) AAK1MAPTHPGDNPC1RAB9A
SCHEMBL3694054 0.91 AAK1 (0.41) AAK1MAPTHPGDNPC1RAB9A
SCHEMBL2129992 0.87 AAK1 (0.42) AAK1MAPTHPGDSMN1; SMN2TP53
SCHEMBL10104857 0.85 AAK1 (0.41) AAK1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2129097 0.83 AAK1 (0.46) AAK1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2128048 0.83 AAK1 (0.41) AAK1MAPTHPGDNPC1RAB9A
SCHEMBL2128042 0.83 AAK1 (0.41) AAK1MAPTHPGDNPC1RAB9A
SCHEMBL3691588 0.80 AAK1 (0.43) AAK1HPGDSMN1; SMN2IDO1HTT
SCHEMBL3691586 0.80 AAK1 (0.43) AAK1HPGDSMN1; SMN2IDO1HTT
SCHEMBL3693374 0.78 AAK1 (0.42) AAK1HPGDIDO1LMNAHTT

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
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-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 AAK1 3218/4885MAPT 4775/4885HPGD 3164/4885
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 AAK1 1865/4885MAPT 4558/4885HPGD 2434/4885

“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.