SCHEMBL5679063

SCHEMBL5679063

Cc1ccccc1-c1ccccc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 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
SCHEMBL7127239 0.87 ALDH1A1 (0.48) CA12CA1CA2CA9IDO1
SCHEMBL7370782 0.86 CA12 (0.40) CA12CA1CA2CA9IDO1
SCHEMBL30950298 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1TSHRACHE
SCHEMBL4439 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1TSHRACHE
SCHEMBL17922579 0.81 HSD11B1 (0.47) CA12CA1CA2CA9IDO1
SCHEMBL1584603 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHRACHE
SCHEMBL1584604 0.80 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL1109716 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHRACHE
Water SCHEMBL9476427 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHRACHE
Hydrochloric Acid SCHEMBL28295084 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHRACHE

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
EP-0932600-B1 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2006-02-08 EP disclosed
US-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-01 US disclosed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
EP-1541574-A1 TRIAZASPIRO 5.5 UNDECANE DERIVATIVES AND DRUGS COMPRISI NG THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO disclosed
US-6083981-A USEFUL FOR TREATMENT OF STROKE, INFLAMMATORY DISEASES, SEPTIC SHOCK, REPERFUSION INJURY, ALZHEIMER'S DISEASE, SHIGELLOSIS WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-6054487-A ADMINISTERING AN INTERLEUKIN-ONE BETA CONVERTING ENZYME SUFFICIENT TO INHIBIT PRODUCTION OF GAMMA-INTERFERON BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 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 (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-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient HLA-DRB1, TLR5, HLA-C CA12 4310/4885CA1 2509/4885CA2 3161/4885

“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.