SCHEMBL4401724

SCHEMBL4401724

Nc1ccc(-c2cc(C(=O)O)no2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
PTPN1 P18031 3/20 0.51
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
CDH1 P12830 1/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
BRD4 O60885 1/20 0.46
RARA P10276 2/20 0.41
RXRA P19793 2/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL1807292 0.79 ALDH1A1 (0.54) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL4400058 0.74 ALDH1A1 (0.49) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1178695 0.74 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL11568675 0.73
SCHEMBL2818916 0.71 ALDH1A1 (0.62) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL71299 0.71 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL28524154 0.70 RAB9A (0.61) ALDH1A1PTPN1HPGDMAPTNPC1
SCHEMBL569522 0.70 RAB9A (0.61) ALDH1A1PTPN1HPGDMAPTNPC1
SCHEMBL1178606 0.70 PTPN1 (0.76) ALDH1A1PTPN1HPGDMAPTRECQL
Hydrochloric Acid SCHEMBL19118898 0.69 RAB9A (0.60) ALDH1A1PTPN1HPGDMAPTNPC1

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885PTPN1 2026/4885HPGD 732/4885

“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.