SCHEMBL16658447

SCHEMBL16658447

CCC1COc2ccc(S(C)(=O)=O)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
FFAR1 O14842 1/20 0.48
CA2 P00918 6/20 0.47
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL16658444 0.94 HTR6 (0.47) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL1019674 0.87 HTR6 (0.52) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL1019478 0.87 HTR6 (0.52) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL1019472 0.87 HTR6 (0.52) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL1021657 0.87 HTR6 (0.52) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL29444758 0.87 HTR6 (0.52) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL1882834 0.85 LMNA (0.50) HTR6FFAR1CA2LMNASMN1; SMN2
SCHEMBL1879816 0.85 HTR6 (0.57) HTR6FFAR1CA2LMNAALDH1A1
SCHEMBL1884972 0.85 HTR6 (0.57) HTR6FFAR1CA2LMNAALDH1A1
SCHEMBL16652090 0.85 FFAR1 (0.53) HTR6FFAR1CA2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 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 (5 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-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTR6 3933/4885FFAR1 3955/4885CA2 3892/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTR6 3933/4885FFAR1 3955/4885CA2 3892/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HTR6 3933/4885FFAR1 3955/4885CA2 3892/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTR6 3933/4885FFAR1 3955/4885CA2 3892/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTR6 3933/4885FFAR1 3955/4885CA2 3892/4885

“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.