Sugi Predict

Sugi Predict / Compounds / SCHEMBL10104899

SCHEMBL10104899

SCHEMBL10104899

CCC[C@@](CO)(CCc1ccc(Sc2cc(C)ccc2O)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ AAK1 Q2M2I8 4/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ ANO1 Q5XXA6 1/20 0.31
▸ GLA P06280 1/20 0.30

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
SCHEMBL10104896 0.91 S1PR1 (0.34) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL2131321 0.89 IDO1 (0.34) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL15284393 0.89 IDO1 (0.34) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL10104772 0.89 IDO1 (0.34) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL10104774 0.89 S1PR1 (0.33) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL15284392 0.89 IDO1 (0.34) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL2131316 0.89 IDO1 (0.34) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL10104827 0.89 IDO1 (0.38) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL10104900 0.88 S1PR1 (0.32) IDO1S1PR1HPGDMEN1KMT2A
SCHEMBL10104871 0.86 S1PR1 (0.33) IDO1S1PR1MEN1KMT2AALDH1A1

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 2 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-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 IDO1 814/4885S1PR1 2/4885HPGD 3164/4885

“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.