SCHEMBL5547003

SCHEMBL5547003

COCC(=O)Nc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.33
HIF1A Q16665 6/20 0.33
TP53 P04637 2/20 0.33
P2RX3 P56373 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
METAP2 P50579 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5546795 0.89 TOP2A (0.35) HIF1ATP53MEN1KMT2A
SCHEMBL4591622 0.84 HIF1A (0.34) ALDH1A1HIF1AMEN1KMT2ALMNA
SCHEMBL5545343 0.84 MEN1 (0.36) ALDH1A1HIF1AMEN1KMT2ALMNA
SCHEMBL5548705 0.84 FEN1 (0.34) HIF1ATP53MEN1KMT2AMETAP2
SCHEMBL5546555 0.83 HDAC3 (0.38) HIF1AMEN1KMT2A
SCHEMBL4591140 0.83 HIF1A (0.37) BRD4HIF1AMEN1KMT2ALMNA
SCHEMBL5548083 0.81 MEN1 (0.35) ALDH1A1HIF1AMEN1KMT2ALMNA
SCHEMBL4576606 0.81 MEN1 (0.37) ALDH1A1HIF1AMEN1KMT2ANPC1
SCHEMBL4591644 0.81 MEN1 (0.39) HIF1AMEN1KMT2ANPC1
SCHEMBL5540779 0.81 TSHR (0.36) BRD4ALDH1A1TP53LMNANPC1

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 BRD4 36/4885ALDH1A1 3812/4885ABL1 315/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 BRD4 223/4885ALDH1A1 3073/4885ABL1 143/4885

“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.