SCHEMBL2491906

SCHEMBL2491906

Cc1ccc(S(=O)(=O)OCCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 7/20 0.51
KCNH2 Q12809 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ENPP1 P22413 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL19733679 0.98 MBTD1 (0.55) MBTD1L3MBTL1HRH3KCNH2SMN1; SMN2
SCHEMBL3975042 0.92 L3MBTL1 (0.49) MBTD1L3MBTL1HRH3ALDH1A1
SCHEMBL2490457 0.91 L3MBTL1 (0.58) MBTD1L3MBTL1HRH3KCNH2SMN1; SMN2
Hydrochloric Acid SCHEMBL9449150 0.90 L3MBTL1 (0.57) MBTD1L3MBTL1HRH3KCNH2SMN1; SMN2
SCHEMBL9162804 0.88 L3MBTL1 (0.56) MBTD1L3MBTL1HRH3KCNH2HRH1
SCHEMBL10039971 0.88 CYP2D6 (0.49) MBTD1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL19284810 0.85 CA12 (0.53) HRH3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1783722 0.84 KMT2A (0.50) MBTD1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL31579694 0.84 KMT2A (0.51) MBTD1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10512456 0.82 L3MBTL1 (0.50) MBTD1L3MBTL1HRH3SMN1; SMN2MEN1

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-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
US-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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 (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-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3R5 MBTD1 3730/4885L3MBTL1 4873/4885HRH3 1958/4885
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 MBTD1 2718/4885L3MBTL1 3839/4885HRH3 1953/4885

“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.