SCHEMBL7044742

SCHEMBL7044742

CCOc1cccc2[nH]c(C(=O)OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ DUSP3 P51452 1/20 0.53
▸ PTPN5 P54829 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL12874793 0.88 SRD5A2 (0.50) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL12388665 0.86 CYP2D6 (0.53) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL1144792 0.86 SRD5A2 (0.71) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL30310576 0.86 SRD5A2 (0.71) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL217459 0.85 FLT3 (0.66) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL12388663 0.85 CYP2D6 (0.59) SRD5A2POLBKDM4EALDH1A1CYP1A2
SCHEMBL913480 0.85 KDM4E (0.53) SRD5A2POLBDUSP3PTPN5PTPN11
Dimethylamine SCHEMBL4816626 0.85 SRD5A2 (0.66) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL12084282 0.84 SRD5A2 (0.54) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL25077801 0.84 SRD5A2 (0.49) SRD5A2POLBDUSP3PTPN5PTPN11

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 SRD5A2 891/4885POLB 3529/4885DUSP3 3010/4885

“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.

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