SCHEMBL7981349

SCHEMBL7981349

N#Cc1ccc(C(=O)CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.63
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP2 P08253 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
Ethylene SCHEMBL8830351 0.96 GSK3B (0.59) GSK3BCA1CA2POLBRAB9A
SCHEMBL9251049 0.94 GSK3B (0.58) GSK3BCA1CA2POLBRAB9A
SCHEMBL6829508 0.91 GSK3B (0.58) GSK3BCA1CA2POLBRAB9A
SCHEMBL11983785 0.90 GSK3B (0.70) GSK3BCA1CA2POLBRAB9A
SCHEMBL28043310 0.86 KMT2A (0.65) GSK3BCA1CA2POLBRAB9A
SCHEMBL17857765 0.84 GSK3B (0.63) GSK3BCA1CA2RAB9ANPC1
SCHEMBL29249309 0.82 KMT2A (0.62) GSK3BRAB9ANPC1MAPTALDH1A1
SCHEMBL5737219 0.82 MMP2 (0.62) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL3362638 0.82 GSK3B (0.61) GSK3BCA1CA2RAB9ANPC1
SCHEMBL11060488 0.82 GSK3B (0.61) GSK3BCA1CA2POLBRAB9A

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 GSK3B 563/4885CA1 856/4885CA2 2815/4885

“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.