SCHEMBL5541250

SCHEMBL5541250

CCOC(=O)CC(=O)N(CCN1CCCCS1(=O)=O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 2/20 0.35
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MAOB P27338 1/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
NTRK1 P04629 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
CALCA P06881 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
SCHEMBL5540997 0.98 PDE3B (0.35) GRM2PDE3BPDE3AP2RY12KMT2A
SCHEMBL6061215 0.94 GRM2 (0.35) GRM2PDE3BPDE3AP2RY12KMT2A
SCHEMBL5541256 0.93 PDE3B (0.34) PDE3BPDE3AP2RY12KMT2AATM
SCHEMBL5540995 0.91 PDE3B (0.35) PDE3BPDE3AP2RY12KMT2AATM
SCHEMBL6061219 0.87 MAOB (0.32) PDE3BPDE3AP2RY12KMT2AMAOB
SCHEMBL5545354 0.84 EPHX2 (0.42) PDE3BPDE3AP2RY12KMT2AMEN1
SCHEMBL5538835 0.83 PDE3B (0.38) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL5538851 0.82 PDE3B (0.38) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL5541235 0.82 GRM2 (0.37) GRM2PDE3BPDE3AP2RY12KMT2A
SCHEMBL5538668 0.81 PDE3B (0.40) PDE3BPDE3AALDH1A1TSHRCYP2C19

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 GRM2 3992/4885PDE3B 3560/4885PDE3A 3339/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GRM2 4737/4885PDE3B 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.