SCHEMBL3435877

SCHEMBL3435877

COC1CCN(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
PTGER1 P34995 2/20 0.47
SCD O00767 1/20 0.47
OGA O60502 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
LDHA P00338 2/20 0.42
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13634311 0.92 HRH3 (0.47) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL13162579 0.92 HRH3 (0.47) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL13162807 0.87 HRH3 (0.48) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL2079085 0.86 HRH3 (0.54) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL2770634 0.86 PTGER1 (0.41) HRH3PTGER1OGASMN1; SMN2LDHA
SCHEMBL13634346 0.85 HRH3 (0.47) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL13162769 0.85 HRH3 (0.47) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL3554282 0.84 HRH3 (0.44) HRH3PTGER1SCDOGASMN1; SMN2
SCHEMBL15888547 0.83 HRH3 (0.53) HRH3SCDOGASMN1; SMN2RAB9A
SCHEMBL13634310 0.83 PTGER1 (0.45) HRH3PTGER1SCDOGASMN1; SMN2

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 11 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
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
EP-4149459-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-03-22 EP 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-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-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 (3 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 HRH3 4584/4885PTGER1 4571/4885SCD 4230/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS HRH3 4584/4885PTGER1 4571/4885SCD 4230/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HRH3 338/4885PTGER1 1115/4885SCD 4772/4885

“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.