SCHEMBL20158616

SCHEMBL20158616

CSCC(=O)NCC(=O)NCC(=O)NCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PSMB5 P28074 3/20 0.37
RECQL P46063 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL12425622 0.92 HPGD (0.51) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL13373681 0.78 PSMB5 (0.51) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL23185124 0.75 LMNA (0.38) HPGDLMNAPSMB5RECQL
SCHEMBL16771519 0.75 CYP2D6 (0.50) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL19818495 0.74 CYP2D6 (0.45) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL24778821 0.74 HPGD (0.50) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL10026067 0.73 ALDH1A1 (0.31) HPGDRECQL
SCHEMBL13373810 0.73 CYP2D6 (0.52) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL10381056 0.73 CYP2D6 (0.52) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL9457494 0.73 EGLN1 (0.41) HPGDUSP2LMNAKDM4ERECQL

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-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-05-17 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-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF CA9, CA14, CA13 HPGD 1189/4885USP2 2625/4885CYP2D6 4102/4885

“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.