SCHEMBL6038442

SCHEMBL6038442

CCCCOc1ccc(S([NH])(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.68
CA1 P00915 4/20 0.68
CA2 P00918 4/20 0.68
CA9 Q16790 4/20 0.68
TSHR P16473 4/20 0.68
CA7 P43166 3/20 0.68
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MMP1 P03956 2/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL7519472 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL10822913 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL1333399 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL8618398 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL9848218 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL4527668 0.85 CA12 (0.68) CA12CA1CA2CA9TSHR
SCHEMBL930267 0.84 CA12 (0.72) CA12CA1CA2CA9TSHR
SCHEMBL7368029 0.83 CA12 (0.66) CA12CA1CA2CA9TSHR
SCHEMBL6378122 0.82 CA12 (0.70) CA12CA1CA2CA9TSHR
SCHEMBL6378121 0.82 CA12 (0.70) CA12CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion PEYMAN ANUSCHIRWAN (DE) 2002-05-30 US claimed
US-6313119-B1 VITRONECTIN RECEPTOR ANTAGONISTS ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-06 US claimed
EP-1049677-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2000-11-08 EP claimed
WO-1999037621-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 WO claimed
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
US-5229248-A Hydrazine compound or derivative and amines or quaternary ammonium compounds, high contrast KONICA CORPORATION (JP) 1993-07-20 US disclosed
EP-0473342-A1 Silver halide photographic light sensitive material KONICA CORPORATION (JP) 1992-03-04 EP 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 CA12 667/4885CA1 838/4885CA2 743/4885
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion SOST, SELPLG, BST2 CA12 1585/4885CA1 957/4885CA2 667/4885

“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.