SCHEMBL5476017

SCHEMBL5476017

CCCC(=O)OCSc1ncnc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 2/20 0.38
MAPT P10636 6/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 3/20 0.36
PAK1 Q13153 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL6747193 0.81 TP53 (0.43) TP53KDM4EMAPTHSD17B10MEN1
SCHEMBL10379466 0.80 MAP3K8 (0.50) TP53KDM4ENOTUMMAPTHSD17B10
SCHEMBL5475078 0.78
SCHEMBL6291529 0.77
SCHEMBL2118555 0.75 PAK1 (0.48) TP53NOTUMHSD17B10HPGDNPSR1
SCHEMBL4678313 0.75 TP53 (0.41) TP53KDM4ENOTUMMAPTHSD17B10
SCHEMBL9177428 0.75 TP53 (0.46) TP53KDM4ENOTUMMAPTHSD17B10
SCHEMBL2115552 0.75 PAK1 (0.40) TP53NOTUMMAPTHSD17B10HPGD
SCHEMBL14185048 0.74 SLC6A5 (0.44) TP53KDM4ENOTUMMAPTMEN1
SCHEMBL735449 0.74 NOTUM (0.60) NOTUMMEN1KMT2AHPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US claimed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO claimed
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US disclosed
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US disclosed
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US disclosed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO 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-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety DHFR, FAU, MYD88 TP53 62/4885KDM4E 896/4885NOTUM 1675/4885

“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.