SCHEMBL2220169

SCHEMBL2220169

CCC(=O)Nc1cc(S(=O)(=O)Oc2cc(OC)c(OC)c(OC)c2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
CYP1A1 P04798 1/20 0.44
MAPK1 P28482 1/20 0.44
AHR P35869 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12435992 0.89 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL6351496 0.88 KMT2A (0.48) KMT2ASMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL6343876 0.82 CASR (0.47) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL2218687 0.81 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL6348536 0.80 CASR (0.45) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL2219490 0.77 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL2215369 0.76 MAPT (0.49) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL6594370 0.74 KMT2A (0.75) KMT2ASMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL17507489 0.74 MAPT (0.54) KMT2ASMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL6340685 0.73 CA1 (0.52) KMT2AMEN1ALDH1A1MAPTCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
EP-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
US-8710098-B2 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Chinese Academy of Medical Science (CN) 2014-04-29 US disclosed
EP-2351731-A1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2011-08-03 EP disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 KMT2A 964/4885SMN1; SMN2 4598/4885LMNA 2812/4885

“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.