SCHEMBL9934685

SCHEMBL9934685

CC(=O)O[C@H](C)CCOc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.40
TSHR P16473 3/20 0.38
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
PTGDR Q13258 1/20 0.35
PPARA Q07869 3/20 0.35
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL9935430 0.83 S1PR3 (0.41) S1PR3TSHRHTTSMN1; SMN2MEN1
SCHEMBL28657459 0.76 S1PR3 (0.47) S1PR3TSHRHTTSMN1; SMN2MEN1
SCHEMBL30184755 0.73 HTT (0.46) S1PR3TSHRHTTSMN1; SMN2MEN1
SCHEMBL9219685 0.73 S1PR3 (0.65) S1PR3TSHRHTTMEN1KMT2A
SCHEMBL1778964 0.73 KDM4E (0.46) S1PR3TSHRSMN1; SMN2CYP1A2ADRA1A
SCHEMBL14542266 0.73 S1PR3 (0.65) S1PR3TSHRHTTMEN1KMT2A
SCHEMBL14541876 0.73 S1PR3 (0.65) S1PR3TSHRHTTMEN1KMT2A
SCHEMBL14528304 0.73 S1PR3 (0.65) S1PR3TSHRHTTMEN1KMT2A
SCHEMBL10590245 0.72 ACHE (0.53) S1PR3TSHRHTTKMT2APOLB
SCHEMBL564008 0.72 S1PR3 (0.41) S1PR3TSHRHTTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 S1PR3 896/4885TSHR 394/4885HTT 4028/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 S1PR3 1064/4885TSHR 387/4885HTT 3875/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 S1PR3 1029/4885TSHR 421/4885HTT 3248/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 S1PR3 1223/4885TSHR 409/4885HTT 1725/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 S1PR3 981/4885TSHR 431/4885HTT 3330/4885

“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.