SCHEMBL2592749

SCHEMBL2592749

CCc1ccc(C(=O)O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.67
▸ CA1 P00915 2/20 0.67
▸ CA2 P00918 2/20 0.67
▸ CA4 P22748 2/20 0.67
▸ CA6 P23280 2/20 0.67
▸ CA7 P43166 2/20 0.67
▸ CA9 Q16790 2/20 0.67
▸ CA14 Q9ULX7 2/20 0.67
▸ TPMT P51580 1/20 0.67
▸ TSHR P16473 3/20 0.65
▸ HTT P42858 2/20 0.62
▸ LMNA P02545 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TTR P02766 2/20 0.54
▸ PKM P14618 2/20 0.53
▸ CA3 P07451 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA5B Q9Y2D0 1/20 0.53
▸ PTGS2 P35354 1/20 0.50

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
SCHEMBL6859656 0.89 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL2424457 0.87 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL28032022 0.87 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL14366059 0.86 ALDH1A1 (0.54) CA12CA1CA2CA4CA6
SCHEMBL9428447 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL2784039 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL1251597 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL9516446 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL30143532 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL18280405 0.86 CA12 (0.62) CA12CA1CA2CA4CA6

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 — — US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 — — US disclosed
US-20210323970-A1 METHOD FOR PRODUCING A SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-21 — — US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 — — EP disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 — — WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 — — WO disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 — — US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — 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 (7 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 CA12 4097/4885CA1 1844/4885CA2 239/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 CA12 4518/4885CA1 4423/4885CA2 4214/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CA12 214/4885CA1 52/4885CA2 70/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 CA12 3905/4885CA1 1347/4885CA2 226/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 CA12 4097/4885CA1 1844/4885CA2 239/4885
US-20210323970-A1 METHOD FOR PRODUCING A SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 CA12 2760/4885CA1 870/4885CA2 2581/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 CA12 4701/4885CA1 4704/4885CA2 4486/4885

“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.

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