SCHEMBL5546436

SCHEMBL5546436

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCCS(=O)(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
P2RY12 Q9H244 2/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TSHR P16473 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL6061449 0.83 RAB9A (0.36) RAB9APDE3BPDE3ALMNASMN1; SMN2
SCHEMBL5545808 0.82 ALDH1A1 (0.43) RAB9APDE3BPDE3ASMN1; SMN2MEN1
SCHEMBL5540809 0.82 ALDH1A1 (0.43) RAB9APDE3BPDE3ASMN1; SMN2MEN1
SCHEMBL5544805 0.81 RAB9A (0.36) RAB9APDE3BPDE3ALMNASMN1; SMN2
SCHEMBL5543117 0.81 ALDH1A1 (0.45) RAB9APDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL6061012 0.80 PDE3B (0.38) RAB9APDE3BPDE3ALMNAMEN1
SCHEMBL5540769 0.80 MEN1 (0.37) RAB9APDE3BPDE3ALMNASMN1; SMN2
SCHEMBL5540554 0.80 LMNA (0.39) RAB9ALMNAMEN1KMT2AALDH1A1
SCHEMBL5540936 0.80 KCNQ3 (0.41) RAB9APDE3BPDE3ALMNASMN1; SMN2
SCHEMBL5541233 0.79 PDE3B (0.37) RAB9APDE3BPDE3ALMNASMN1; SMN2

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-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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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 RAB9A 2184/4885PDE3B 3560/4885PDE3A 3339/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 RAB9A 2632/4885PDE3B 3316/4885PDE3A 3100/4885

“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.