SCHEMBL3526798

SCHEMBL3526798

CCCOCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.43
MAPT P10636 1/20 0.42
SLC22A2 O15244 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL2238354 0.94 LIPG (0.44) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL82568 0.91 LIPG (0.46) LIPGMAPTSLC22A2SMN1; SMN2
SCHEMBL22482699 0.89 MAPT (0.44) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL2184785 0.88 LIPG (0.43) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL2187748 0.88 LIPG (0.45) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL2184805 0.86 SLC22A2 (0.44) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL2184756 0.85 PTPN7 (0.45) LIPGMAPTSLC22A2SMN1; SMN2
SCHEMBL2187383 0.85 MAPT (0.43) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL3528935 0.85 MAPT (0.43) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4
SCHEMBL2185912 0.84 LIPG (0.42) LIPGMAPTSLC22A2SMN1; SMN2CYP3A4

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
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP 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-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 LIPG 3032/4885MAPT 2144/4885SLC22A2 4007/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 LIPG 4664/4885MAPT 4110/4885SLC22A2 503/4885

“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.