SCHEMBL754520

SCHEMBL754520

[CH2]C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.50
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CYP2D6 P10635 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL5097383 0.81 MMP2 (0.50) CA12CA9CA1CA2MAPK1
SCHEMBL6914203 0.81 NPY2R (0.50) NPY2RCA12CA9CA1CA2
SCHEMBL12373175 0.81 NPY2R (0.50) NPY2RCA12CA9CA1CA2
SCHEMBL11689700 0.81 NPY2R (0.50) NPY2RCA12CA9CA1CA2
SCHEMBL4830292 0.79 NPY2R (0.49) NPY2RCA12CA9CA1CA2
SCHEMBL519572 0.79 NPY2R (0.46) NPY2RCA12CA9CA1CA2
SCHEMBL6543930 0.78 GAA (0.50) NPY2RCA12CA9CA1CA2
SCHEMBL5776454 0.77 MEN1 (0.51) NPY2RCA12CA9CA1CA2
SCHEMBL14410815 0.77 NPY2R (0.47) NPY2RCA12CA9CA1CA2
SCHEMBL13848475 0.77 NPY2R (0.47) NPY2RCA12CA9CA1CA2

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-1847534-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2012-03-21 EP disclosed
EP-1847534-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-06-22 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 US disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 US disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 NPY2R 3480/4885CA12 4720/4885CA9 4111/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 NPY2R 3480/4885CA12 4720/4885CA9 4111/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 NPY2R 3709/4885CA12 4611/4885CA9 4000/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 NPY2R 3480/4885CA12 4720/4885CA9 4111/4885

“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.