SCHEMBL6449519

SCHEMBL6449519

CON=Cc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SRC P12931 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MIF P14174 3/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6449514 1.00 MAPT (0.48) MAPTCA1CA2CA12CA9
SCHEMBL7284344 0.86 MAPT (0.47) MAPTCA1CA2CA12CA9
SCHEMBL27596113 0.84 ALDH1A1 (0.54) MAPTCA1CA2SRCALDH1A1
SCHEMBL7287403 0.83 KMT2A (0.56) MAPTCA1CA2CA12CA9
SCHEMBL8377876 0.83 MAPT (0.45) MAPTCA1CA2CA12CA9
SCHEMBL6076687 0.83 ALDH1A1 (0.61) MAPTCA1CA2CA12CA9
SCHEMBL6076692 0.83 ALDH1A1 (0.61) MAPTCA1CA2CA12CA9
Ammonia Solution, Strong SCHEMBL7284354 0.82 KMT2A (0.55) MAPTCA1CA2CA12CA9
SCHEMBL14669025 0.81 SRC (0.45) MAPTCA1CA2SRCALDH1A1
SCHEMBL25212529 0.79 MAPT (0.57) MAPTCA1CA2CA12CA9

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 7 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 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
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 MAPT 3792/4885CA1 4121/4885CA2 3717/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 MAPT 1/4885CA1 4511/4885CA2 3492/4885

“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.