SCHEMBL4480533

SCHEMBL4480533

CN(c1nc(O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 2/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
SCD O00767 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4488900 0.89 LMNA (0.39) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4484200 0.80 LMNA (0.36) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4494682 0.79 LMNA (0.45) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4490458 0.79 AKR1B1 (0.39) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL13672792 0.79 AKR1B1 (0.43) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4502978 0.78 AKR1B1 (0.39) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4479990 0.77 OPRM1 (0.41) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4483672 0.76 AKR1B1 (0.38) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4479852 0.76 AKR1B1 (0.41) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4490374 0.76 AKR1B1 (0.38) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US claimed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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 (1 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H LMNA 4273/4885SMN1; SMN2 4492/4885HTT 930/4885

“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.