SCHEMBL7314587

SCHEMBL7314587

NCCc1c(S(=O)(=O)c2ccccc2)[nH]c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PPARG P37231 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA2 P17301 1/20 0.37
ABL1 P00519 1/20 0.37
RAD52 P43351 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR6 P50406 3/20 0.36
CNR1 P21554 1/20 0.36
ALK Q9UM73 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL7401752 0.89 TTK (0.41) RAD52BLMNPSR1HTR6CNR1
Hydrochloric Acid SCHEMBL7403059 0.83 CA1 (0.39) CA1CA2CA9RAD52BLM
SCHEMBL7399530 0.80 MTNR1A (0.40) CNR1CXCR2
Hydrochloric Acid SCHEMBL7400090 0.78 MAOB (0.47) CA1CA2HTR6CNR1TTK
Hydrochloric Acid SCHEMBL7397326 0.78 HTR1D (0.49) HTR6
Hydrochloric Acid SCHEMBL7403768 0.78 CA12 (0.42) CA1CA2CA9CA12HTR6
Hydrochloric Acid SCHEMBL7400744 0.76 CA1 (0.44) CA1CA2CA9HTR6CNR1
Hydrochloric Acid SCHEMBL7318471 0.71 HTR7 (0.64) NPSR1HTR6MEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL7401358 0.68 MCL1 (0.40) CA1CA2CA9CA12PPARG
SCHEMBL6575496 0.68 HTR6 (0.56) RAD52BLMNPSR1HTR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed

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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 CA1 4860/4885CA2 4211/4885CA9 4335/4885

“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.