SCHEMBL4154841

SCHEMBL4154841

CN1Cn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C(=O)N1C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC22A2 O15244 10/20 0.46
CYP3A4 P08684 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2238466 0.82 SLC22A2 (0.51) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL22482699 0.81 MAPT (0.44) LIPGSMN1; SMN2SLC22A2CYP3A4TMEM97
SCHEMBL4162162 0.81 SLC22A2 (0.43) SLC22A2MAPT
SCHEMBL5045392 0.81 MAPT (0.45) SLC22A2MAPT
SCHEMBL2187748 0.80 LIPG (0.45) LIPGSMN1; SMN2SLC22A2CYP3A4TMEM97
SCHEMBL2187504 0.80
SCHEMBL2184805 0.80 SLC22A2 (0.44) LIPGSMN1; SMN2SLC22A2CYP3A4TMEM97
SCHEMBL82568 0.79 LIPG (0.46) LIPGSMN1; SMN2SLC22A2MAPT
SCHEMBL3520763 0.79 TP53 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3526227 0.79 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2

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 13 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
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-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US 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-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 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
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 3032/4885SMN1; SMN2 3622/4885SLC22A2 4007/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 LIPG 4664/4885SMN1; SMN2 2886/4885SLC22A2 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.