SCHEMBL1018229

SCHEMBL1018229

O=C(O)c1ccccc1S(=O)(=O)CCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 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
SCHEMBL10590325 0.89 SMN1; SMN2 (0.64) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL12472341 0.85 CA12 (0.61) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL8982627 0.82 CA12 (0.61) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL19617695 0.81 TSHR (0.62) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL10944695 0.81 SMN1; SMN2 (0.62) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL5724579 0.78 TSHR (0.68) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL7208440 0.77 CA2 (0.44) CA2ALDH1A1
SCHEMBL11797264 0.77 SMN1; SMN2 (0.66) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL2576800 0.77 SMN1; SMN2 (0.66) CA2TSHRSMN1; SMN2CA1MMP1
SCHEMBL7189936 0.77 SMN1; SMN2 (0.66) CA2TSHRSMN1; SMN2CA1MMP1

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-3458447-B1 PIPERAZINYL METHANONE NAAA INHIBITORS UNIV CALIFORNIA (US) 2023-11-29 EP disclosed
CN-109476616-B Piperazinyl methanone NAAA inhibitors 加利福尼亚大学董事会 2023-10-13 CN disclosed
US-10556892-B2 Piperazinyl methanone NAAA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-11 US disclosed
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-06-13 US disclosed
EP-3458447-A1 PIPERAZINYL METHANONE NAAA INHIBITORS The Regents of The University of California (US) 2019-03-27 EP disclosed
CN-109476616-A Piperazinyl methanone NAAA inhibitor 加利福尼亚大学董事会 2019-03-15 CN disclosed
WO-2017201103-A1 PIPERAZINYL METHANONE NAAA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 WO disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO 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-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS NAAA, NAA15, NAA50 CA2 2876/4885TSHR 4460/4885SMN1; SMN2 576/4885
US-10556892-B2 Piperazinyl methanone NAAA inhibitors NAAA, NAA50, NAA15 CA2 2959/4885TSHR 4247/4885SMN1; SMN2 423/4885

“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.