SCHEMBL87306

SCHEMBL87306

CCCCOC(=O)NC1(c2nc(C(=O)OCC)c(O)c(=O)[nH]2)CCC(CCO)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.31
RNASEH1 O60930 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL62555 0.79 RNASEH1 (0.43) RNASEH1
SCHEMBL63358 0.71 RNASEH1 (0.43) RNASEH1
SCHEMBL87894 0.70 TSHR (0.34) TSHR
SCHEMBL14064602 0.70 KDM4E (0.38) RNASEH1KDM4E
SCHEMBL87293 0.69 TSHR (0.33) TSHR
SCHEMBL52517 0.69 RNASEH1 (0.39) RNASEH1
SCHEMBL52518 0.69 RNASEH1 (0.39) RNASEH1
SCHEMBL52519 0.69 RNASEH1 (0.39) RNASEH1
SCHEMBL1169995 0.69 LMNA (0.35) TSHRRNASEH1KDM4E
SCHEMBL1170226 0.68 LMNA (0.36) TSHRRNASEH1KDM4E

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG TSHR 4845/4885MAPK1 648/4885RNASEH1 1285/4885

“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.