SCHEMBL13535006

SCHEMBL13535006

CCCSc1ccc(OCC(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PLA2G4B P0C869 1/20 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
SCHEMBL13534998 0.77 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2ALOX15PPARG
SCHEMBL13535007 0.77 P4HTM (0.49) SMN1; SMN2MAPTL3MBTL1
SCHEMBL16421193 0.73 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL18591898 0.73 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2ALOX15PPARG
SCHEMBL2435587 0.73 ALOX15 (0.52) TSHRALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL29416383 0.73 ALOX15 (0.52) TSHRALDH1A1SMN1; SMN2ALOX15MAPT
Bromide SCHEMBL6993690 0.71 SMN1; SMN2 (0.50) TSHRALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL13535000 0.71 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL16796518 0.70 LMNA (0.51) KDM4EALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL12612087 0.69 LMNA (0.60) TSHRALDH1A1SMN1; SMN2ALOX15PPARG

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 KDM4E 3256/4885TSHR 4782/4885ALDH1A1 3337/4885

“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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