SCHEMBL22104653

SCHEMBL22104653

COc1cccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)C3CC3)CCC4)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 6/20 0.76
TP53 P04637 4/20 0.68
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
NLRP3 Q96P20 2/20 0.53
EIF2AK2 P19525 1/20 0.53
NR3C1 P04150 2/20 0.53
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL22104708 0.92 OGG1 (0.77) OGG1TP53LMNASMN1; SMN2ALDH1A1
SCHEMBL22104655 0.89 OGG1 (0.81) OGG1TP53LMNASMN1; SMN2NLRP3
SCHEMBL22104700 0.88 OGG1 (0.83) OGG1TP53LMNANLRP3EIF2AK2
SCHEMBL22104673 0.87 OGG1 (0.81) OGG1TP53LMNASMN1; SMN2NLRP3
SCHEMBL22104952 0.87 OGG1 (0.87) OGG1TP53LMNASMN1; SMN2POLB
SCHEMBL22104672 0.86 OGG1 (1.00) OGG1TP53LMNASMN1; SMN2NLRP3
SCHEMBL22104663 0.86 OGG1 (0.76) OGG1TP53LMNASMN1; SMN2NLRP3
SCHEMBL22104712 0.86 OGG1 (0.75) OGG1TP53LMNASMN1; SMN2ALDH1A1
SCHEMBL22104951 0.85 OGG1 (1.00) OGG1TP53LMNASMN1; SMN2NLRP3
SCHEMBL22104686 0.84 OGG1 (1.00) OGG1TP53LMNASMN1; SMN2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-18 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-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon OGG1, UNG, MPG OGG1 1/4885TP53 206/4885LMNA 2093/4885

“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.