Sugi Predict

Sugi Predict / Compounds / SCHEMBL2585296

SCHEMBL2585296

SCHEMBL2585296

BrCCCc1ccc(-c2cccs2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.59
▸ DPP4 P27487 4/20 0.57
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL28000557 0.98 DPP4 (0.60) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL28000384 0.93 DPP4 (0.58) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL28115532 0.83 DPP4 (0.37) LTA4HDPP4ALDH1A1GLAMAPT
SCHEMBL28000382 0.83 LTA4H (0.69) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL8575618 0.83 DPP4 (0.67) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL799475 0.83 LTA4H (0.59) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL26625918 0.82 LTA4H (0.73) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL799496 0.81 DPP4 (0.60) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL28000574 0.81 LTA4H (0.67) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL28115589 0.81 LTA4H (0.67) LTA4HDPP4ALDH1A1L3MBTL1KDM4E

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
CN-104496962-B A kind of Oligopoly thiophene derivative and application thereof 南方医科大学 2017-01-04 — — CN disclosed
CN-104496962-A Oligothiophene derivative and application thereof UNIV SOUTHERN MEDICAL 2015-04-08 — — CN disclosed
US-8404842-B2 Organic and inorganic photosensitizer dyes NATIONAL CENTRAL UNIVERSITY (TW) 2013-03-26 — — US disclosed
US-8404842-B2 Organic and inorganic photosensitizer dyes NATIONAL CENTRAL UNIVERSITY (TW) 2013-03-26 — — US disclosed
US-8404842-B2 Organic and inorganic photosensitizer dyes NATIONAL CENTRAL UNIVERSITY (TW) 2013-03-26 — — US disclosed
US-20110288300-A1 Organic and inorganic photosensitizer dyes NAIONAL CENTRAL UNIVERSITY (TW) 2011-11-24 — — US disclosed
US-20110288300-A1 Organic and inorganic photosensitizer dyes NAIONAL CENTRAL UNIVERSITY (TW) 2011-11-24 — — US disclosed
US-20110288300-A1 Organic and inorganic photosensitizer dyes NAIONAL CENTRAL UNIVERSITY (TW) 2011-11-24 — — 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-20110288300-A1 Organic and inorganic photosensitizer dyes IK, TYR, CRY1 LTA4H 1979/4885DPP4 3533/4885ALDH1A1 21/4885

“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.