SCHEMBL6112904

SCHEMBL6112904

Cc1ccc(C)c(C(=O)Br)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
CSNK2A1 P68400 1/20 0.47
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6113399 0.82 NFE2L2 (0.47) MEN1KMT2ASMN1; SMN2CSNK2A1TP53
SCHEMBL9420245 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL9862051 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL501733 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL223101 0.79 CSNK2A1 (0.65) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL29636568 0.79 KMT2A (0.55) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL697905 0.79 KMT2A (0.55) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL6916095 0.77 CSNK2A1 (0.63) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
Iodide SCHEMBL6113218 0.77 CSNK2A1 (0.63) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR
SCHEMBL6917333 0.77 CSNK2A1 (0.63) MEN1KMT2ASMN1; SMN2CSNK2A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757102-B1 Intermediate for producing a cyclic sulfonic acid ester WAKO PURE CHEM IND LTD (JP) 2016-03-23 EP disclosed
US-8969591-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-03 US disclosed
EP-2463281-B1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD (JP) 2014-10-22 EP disclosed
EP-2757102-A1 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative Wako Pure Chemical Industries, Ltd. (JP) 2014-07-23 EP disclosed
US-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-22 US disclosed
US-8673963-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed
EP-2463281-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 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-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 MEN1 3976/4885KMT2A 2802/4885SMN1; SMN2 4290/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 MEN1 3976/4885KMT2A 2802/4885SMN1; SMN2 4290/4885

“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.