SCHEMBL5254651

SCHEMBL5254651

CN(CCNC(=O)OCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ TGM2 P21980 2/20 0.54
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPT P10636 1/20 0.50
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ KEAP1 Q14145 2/20 0.48
▸ NFE2L2 Q16236 2/20 0.48
▸ FOLH1 Q04609 1/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ MMP2 P08253 2/20 0.46

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
SCHEMBL14772158 0.84 LMNA (0.65) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL19763216 0.84 LMNA (0.65) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL28968610 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL17846625 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL9331465 0.81 LMNA (0.60) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL10827358 0.81 LMNA (0.60) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL7394899 0.81 LMNA (0.60) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL13737798 0.80 HTT (0.56) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL4909202 0.80 LMNA (0.58) LMNASMN1; SMN2HTTTGM2CTSL
SCHEMBL5258117 0.80 LMNA (0.58) LMNASMN1; SMN2HTTTGM2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 — — US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 — — US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 — — US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 — — EP disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 — — EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 — — EP disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — US disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 — — EP disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 — — 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 LMNA 309/4885SMN1; SMN2 4398/4885HTT 1491/4885

“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.

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