SCHEMBL2995397

SCHEMBL2995397

Cc1ccccc1OS(=O)(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
ACHE P22303 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 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
SCHEMBL29468655 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL777548 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL6937363 0.80 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL30821607 0.80 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL777549 0.78 SLC22A6 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL28967200 0.78 ELANE (0.59) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL3372383 0.78 CA2 (0.52) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL13752372 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL14861976 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL17456550 0.77 SLC22A6 (0.44) ALDH1A1LMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781165-B2 Benzimidazolium compounds and salts of benzimidazolium compounds for nucleic acid amplification ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-08-24 US disclosed
US-20100184973-A1 Method for producing dioxazine derivatives BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
EP-1777300-B1 Organic salt additives for nucleic acid amplification ROCHE DIAGNOSTICS GMBH (DE) 2008-08-27 EP disclosed
US-20070099220-A1 Organic salt additives for nucleic acid amplification ROCHE DIAGNOSTICS GMBH (DE) 2007-05-03 US disclosed
EP-1777300-A1 Organic salt additives for nucleic acid amplification Roche Diagnostics GmbH (DE) 2007-04-25 EP disclosed
EP-0499282-B1 Aqueous concentrate of at least one alkyl- or alkenyl substituted ammonium compound HOECHST AG (DE) 1995-07-05 EP disclosed
EP-0499282-A1 Aqueous concentrate of at least one alkyl- or alkenyl substituted ammonium compound HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-19 EP disclosed
US-4404230-A ARTICIFIAL SWEETENERS DR. KARL THOMAE GMBH (DE) 1983-09-13 US disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 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-20070099220-A1 Organic salt additives for nucleic acid amplification POLN, NSUN3, POLRMT ALDH1A1 2440/4885LMNA 405/4885MEN1 3128/4885
US-20100184973-A1 Method for producing dioxazine derivatives CYP4Z1, CYP1A1, CYP2F1 ALDH1A1 127/4885LMNA 2336/4885MEN1 1980/4885

“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.