SCHEMBL6450080

SCHEMBL6450080

Cc1ccc(S(=O)(=O)NC(=O)/C(O)=C/C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ PTGS2 P35354 3/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 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
SCHEMBL6450083 1.00 LMNA (0.51) LMNAPOLBNPSR1CA1CA2
SCHEMBL30716976 0.82 LMNA (0.66) LMNAPOLBNPSR1CA1CA2
SCHEMBL6448310 0.82 CA1 (0.56) POLBNPSR1CA1CA2MMP1
SCHEMBL6448306 0.82 CA1 (0.56) POLBNPSR1CA1CA2MMP1
SCHEMBL692083 0.79 LMNA (0.64) LMNAPOLBNPSR1CA1CA2
Ammonia Solution, Strong SCHEMBL6098128 0.77 LMNA (0.62) LMNAPOLBNPSR1CA1CA2
Hydrochloric Acid SCHEMBL3956233 0.77 LMNA (0.62) LMNAPOLBNPSR1CA1CA2
SCHEMBL29135554 0.76 LMNA (0.58) LMNAPOLBNPSR1CA1CA2
SCHEMBL5176574 0.75 POLB (0.65) LMNAPOLBNPSR1CA1CA2
SCHEMBL6274511 0.75 POLB (0.65) LMNAPOLBNPSR1CA1CA2

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
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 — — US claimed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 — — US claimed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 — — WO claimed
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 — — US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 — — US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 — — 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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 LMNA 4275/4885POLB 702/4885NPSR1 2446/4885

“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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