SCHEMBL4747574

SCHEMBL4747574

CCCCOC(=O)c1cc(N)c(Oc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ CA2 P00918 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ SLC12A2 P55011 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ STS P08842 7/20 0.49
▸ AQP1 P29972 1/20 0.48
▸ PTGS2 P35354 3/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ ESR1 P03372 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL11381561 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL2876098 0.85 KDM4E (0.80) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL2875469 0.83 HPGD (0.52) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL11842239 0.82 KDM4E (0.75) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL11787813 0.82 KDM4E (0.78) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL11792220 0.81 KDM4E (0.77) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL574020 0.80 HSD17B10 (0.64) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL11849523 0.80 CNR2 (0.46) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL2741972 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRLMNAKDM4E
Hydrochloric Acid SCHEMBL4751053 0.79 HSD17B10 (0.62) ALDH1A1HSD17B10TSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008131219-A1 SUBSTITUTED ANTHRANILIC ACIDS AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-30 — — WO disclosed
WO-2008131219-A1 SUBSTITUTED ANTHRANILIC ACIDS AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-30 — — WO disclosed
US-20080262086-A1 SUBSTITUTED ANTHRANILIC ACIDS AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20080262086-A1 SUBSTITUTED ANTHRANILIC ACIDS AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20080262086-A1 SUBSTITUTED ANTHRANILIC ACIDS AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-3963777-A MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1976-06-15 — — 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-20080262086-A1 SUBSTITUTED ANTHRANILIC ACIDS GLS, ASNS, REN ALDH1A1 1760/4885HSD17B10 429/4885TSHR 3141/4885

“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.

Send feedback