SCHEMBL2717445

SCHEMBL2717445

Cc1ccc(C(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62
TUBB8 Q3ZCM7 1/20 0.62
TUBA3E Q6PEY2 1/20 0.62
TUBA1A Q71U36 1/20 0.62
TUBA1C Q9BQE3 1/20 0.62
TUBB6 Q9BUF5 1/20 0.62
TUBB2B Q9BVA1 1/20 0.62
TUBB1 Q9H4B7 1/20 0.62
HDAC6 Q9UBN7 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL30892382 0.94 PKM (0.62) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4675478 0.86 PKM (0.62) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7224581 0.84 TUBB4A (0.52) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24185614 0.82 PKM (0.58) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1504624 0.82 PKM (0.60) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24186220 0.82 PKM (0.58) PKMTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL1891433 0.81 PKM (0.59) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1366438 0.80 PKM (1.00) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31570561 0.80 PKM (0.52) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18295099 0.79 EGFR (0.52) PKMTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 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 (4 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 PKM 3891/4885TUBB4A 2973/4885TUBB 3427/4885
US-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 PKM 3700/4885TUBB4A 4752/4885TUBB 4837/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 PKM 3639/4885TUBB4A 4741/4885TUBB 4829/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 PKM 3891/4885TUBB4A 2973/4885TUBB 3427/4885

“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.