SCHEMBL13240458

SCHEMBL13240458

O=[N+]([O-])c1ccc(Sc2ccccc2S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.53
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ PKM P14618 1/20 0.48
▸ GUSB P08236 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ ALOX12 P18054 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ PDE7A Q13946 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 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
SCHEMBL13265847 0.90 ALDH1A1 (0.51) CA2CA12CA9SMN1; SMN2MAPT
SCHEMBL13265862 0.87 ALPL (0.56) CA2CA12CA9SMN1; SMN2MAPT
SCHEMBL13265731 0.87 MEN1 (0.49) CA2CA12CA9SMN1; SMN2MAPT
SCHEMBL13265711 0.81 HPGD (0.50) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL13265730 0.80 ALDH1A1 (0.51) MAPTLMNAMEN1KMT2AGUSB
SCHEMBL13265727 0.78 GUSB (0.48) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL13265837 0.77 POLB (0.48) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL13265852 0.77 MEN1 (0.65) LMNAMEN1KMT2AMAPK1PKM
SCHEMBL2242888 0.77 CA2 (1.00) CA2CA12CA9SMN1; SMN2MAPT
SCHEMBL13265719 0.75 HPGD (0.46) MAPTLMNAMEN1KMT2AGUSB

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
WO-2007044565-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION UNIVERSITY OF MASSACHUSETTS (US) 2007-04-19 — — 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 (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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 CA2 4843/4885CA12 4798/4885CA9 4780/4885

“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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