SCHEMBL198598

SCHEMBL198598

O=S(=O)(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PTGES2 Q9H7Z7 4/20 0.46
CA2 P00918 2/20 0.44
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
CNR2 P34972 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 1/20 0.42
AOC3 Q16853 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL105528 0.84 TAAR1 (0.48) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL27804764 0.84 TAAR1 (0.48) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL6646604 0.82 TAAR1 (0.46) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL8113789 0.82 RECQL (0.64) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL3135932 0.82 TAAR1 (0.46) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL29001383 0.82 MGLL (0.47) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL15619056 0.81 MAPT (0.52) MEN1KMT2APTGES2HTTALDH1A1
Methane SCHEMBL5216855 0.80 TAAR1 (0.45) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL4704220 0.80 TAAR1 (0.45) TAAR1MEN1KMT2APTGES2CA2
SCHEMBL4704224 0.80 TAAR1 (0.45) TAAR1MEN1KMT2APTGES2CA2

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
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
US-4825005-A Process for the preparation of aromatic ether and thioether compounds CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
US-4151210-A Process for the production of phenylalkyl sulphones CIBA-GEIGY CORPORATION (US) 1979-04-24 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 (3 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 TAAR1 635/4885MEN1 463/4885KMT2A 1269/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 TAAR1 251/4885MEN1 371/4885KMT2A 2407/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR TAAR1 1285/4885MEN1 332/4885KMT2A 77/4885

“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.