SCHEMBL30708644

SCHEMBL30708644

CCC/C(Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)=C1/C(=O)Nc2cc(C(N)=O)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
TERT O14746 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GALR3 O60755 1/20 0.33
HPGD P15428 1/20 0.33
TOP2B Q02880 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
BACE1 P56817 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NAMPT P43490 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL2569512 0.94 AKT2 (0.31) AKT2SMN1; SMN2TERTRAB9AKDM4E
Trifluoroacetic Acid SCHEMBL2569510 0.94 AKT2 (0.31) AKT2SMN1; SMN2TERTRAB9AKDM4E
SCHEMBL479884 0.92 POLB (0.41) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL3156332 0.92 POLB (0.41) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL2567052 0.90 RXFP1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL480698 0.90 RXFP1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL30708658 0.88 SMN1; SMN2 (0.35) AKT2SMN1; SMN2TERTRAB9ANPC1
SCHEMBL479373 0.85 POLB (0.42) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL3149311 0.85 POLB (0.42) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL2571997 0.83 RXFP1 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 AKT2 3227/4885SMN1; SMN2 2525/4885TERT 2479/4885

“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.