SCHEMBL13369306

SCHEMBL13369306

CC(c1nc2ccccc2s1)S(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ HPGD P15428 2/20 0.51
▸ RAB9A P51151 3/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ CASR P41180 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DDAH1 O94760 1/20 0.44
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL30943481 0.82 HPGD (0.57) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL1001902 0.82 HPGD (0.57) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL999631 0.81 HPGD (0.51) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL14413949 0.81 HPGD (0.51) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL27285263 0.78 HPGD (0.49) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL17947424 0.78 HPGD (0.64) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL6240188 0.78 LOXL2 (0.62) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL485998 0.78 HPGD (0.64) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL12085830 0.78 HPGD (0.64) LOXL2ALOX5HPGDRAB9ACYP1A2
SCHEMBL2146969 0.77 LOXL2 (0.66) LOXL2ALOX5HPGDRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723536-B2 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-05-25 — — US disclosed
US-7652031-B2 Compounds which mimic the chemical and biological properties of discodermolide THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-26 — — US disclosed
US-20090187031-A1 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-07-23 — — US disclosed
US-7368585-B2 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-05-06 — — 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-20090187031-A1 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof LSS, DHPS, ERG28 LOXL2 844/4885ALOX5 1370/4885HPGD 181/4885

“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.

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