SCHEMBL5835344

SCHEMBL5835344

O=C(O)c1ccc(N2C(=O)C3C4C=CC(C4)C3S2(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.41
CA2 P00918 7/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL4701615 0.87 CA1 (0.41) CA1CA2KMT2AMEN1CA12
SCHEMBL5835332 0.87 CA1 (0.41) CA1CA2KMT2AMEN1CA12
SCHEMBL15101846 0.76 KMT2A (0.63) CA1CA2KMT2AMEN1CA12
SCHEMBL3201443 0.76 KMT2A (0.63) CA1CA2KMT2AMEN1CA12
SCHEMBL4982510 0.70 AR (0.57)
SCHEMBL4867443 0.70 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2L3MBTL1TDP1
SCHEMBL14254599 0.70 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2L3MBTL1TDP1
SCHEMBL6155655 0.67 KMT2A (0.77) CA1CA2KMT2AMEN1CA12
SCHEMBL12332831 0.66 CMA1 (0.51) CA1CA2KMT2AMEN1CA12
SCHEMBL9851212 0.64 KMT2A (0.63) CA1CA2KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087636-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-01-26 US disclosed
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-08-25 US 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-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 CA1 4430/4885CA2 4765/4885KMT2A 1887/4885
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 CA1 4430/4885CA2 4765/4885KMT2A 1887/4885

“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.