SCHEMBL3551333

SCHEMBL3551333

COCCN(C)c1nc(C(=O)O)cs1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DGAT1 O75907 1/20 0.37
CFTR P13569 1/20 0.37
PLA2G4A P47712 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
SLC9A5 Q14940 1/20 0.36
TRPA1 O75762 1/20 0.35

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
Hydrochloric Acid SCHEMBL2077470 0.99 ALDH1A1 (0.40) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL18674616 0.88 RAB9A (0.41) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL13634202 0.86 MEN1 (0.38) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL13634203 0.85 L3MBTL1 (0.36) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL13634355 0.85 L3MBTL1 (0.36) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL13634208 0.83 PLA2G4A (0.46) ALDH1A1MEN1KMT2AL3MBTL1PLA2G4A
SCHEMBL15888636 0.83 L3MBTL1 (0.41) ALDH1A1L3MBTL1PLA2G4AMMP1MMP2
SCHEMBL13162589 0.83 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1PLA2G4A
SCHEMBL13634317 0.82 ALDH1A1 (0.39) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL3436608 0.81 GAA (0.43) ALDH1A1TP53GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-01-05 US disclosed
WO-2021231474-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-11-18 WO disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (4 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-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS ALDH1A1 1977/4885TP53 1/4885GAA 2245/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ALDH1A1 1977/4885TP53 1/4885GAA 2245/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885TP53 1489/4885GAA 4334/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885TP53 1649/4885GAA 3904/4885

“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.