SCHEMBL7041544

SCHEMBL7041544

COC(=O)[C@@H]1Nc2ccccc2[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
HSPA1A P0DMV8 1/20 0.39
PTPN7 P35236 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HNF4A P41235 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28000462 0.82 EGFR (0.41) EGFRHSPA1APTPN7TDP1SMN1; SMN2
SCHEMBL4278363 0.81 HSPA1A (0.53) EGFRHSPA1APTPN7TDP1HTT
Hydrochloric Acid SCHEMBL10441103 0.80 EGFR (0.40) EGFRHSPA1APTPN7TDP1SMN1; SMN2
SCHEMBL8906406 0.73 BACE1 (0.41) EGFRCYP2D6HTTALDH1A1ADRA2A
SCHEMBL1799863 0.73 MAPT (0.43) EGFRHTTALDH1A1ADRA2AADRA2B
SCHEMBL8904795 0.73 GAA (0.47) SMN1; SMN2CYP2D6HTTALDH1A1BACE1
SCHEMBL8905829 0.73 GAA (0.47) SMN1; SMN2CYP2D6HTTALDH1A1BACE1
SCHEMBL1799862 0.73 MAPT (0.43) EGFRHTTALDH1A1ADRA2AADRA2B
SCHEMBL9275278 0.73 GAA (0.47) SMN1; SMN2CYP2D6HTTALDH1A1BACE1
SCHEMBL8906410 0.73 BACE1 (0.41) EGFRCYP2D6HTTALDH1A1ADRA2A

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-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 EGFR 2709/4885HSPA1A 2417/4885PTPN7 1849/4885

“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.