SCHEMBL5540779

SCHEMBL5540779

CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3NC(=O)COC)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
UBE2N P61088 1/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5540785 0.92 TSHR (0.38) TSHRKDM4EALDH1A1THRBMAPT
SCHEMBL16021064 0.91 TSHR (0.38) TSHRKDM4EALDH1A1THRBMAPT
SCHEMBL5541083 0.89 ELANE (0.36) TSHRKDM4EALDH1A1THRBNPC1
SCHEMBL5541134 0.88 TSHR (0.36) TSHRKDM4EALDH1A1THRBMAPT
SCHEMBL5545408 0.87 MEN1 (0.37) TSHRKDM4EALDH1A1THRBMAPT
SCHEMBL4898051 0.87 TSHR (0.36) TSHRKDM4EALDH1A1THRBMAPT
SCHEMBL14067449 0.87 ALDH1A1 (0.38) TSHRKDM4EHSD17B10ALDH1A1THRB
SCHEMBL14067482 0.87 ALDH1A1 (0.38) TSHRKDM4EHSD17B10ALDH1A1THRB
SCHEMBL5546966 0.85 ALDH1A1 (0.37) TSHRKDM4EHSD17B10ALDH1A1THRB
SCHEMBL4901376 0.85 ALDH1A1 (0.39) TSHRKDM4EHSD17B10ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 TSHR 4052/4885KDM4E 1268/4885HSD17B10 2218/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TSHR 4622/4885KDM4E 1255/4885HSD17B10 1401/4885

“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.