SCHEMBL3721142

SCHEMBL3721142

O=C(Cl)[C@H]1CCCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.44
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ REN P00797 1/20 0.39

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
SCHEMBL1524224 1.00 ACE (0.44) ACECA12CA1CA2CA9
SCHEMBL3739768 1.00 ACE (0.44) ACECA12CA1CA2CA9
SCHEMBL20400973 0.94 CA12 (0.41) ACECA12CA1CA2CA9
SCHEMBL28429784 0.94 CA12 (0.41) ACECA12CA1CA2CA9
SCHEMBL20401099 0.86 ATM (0.32) ACE
SCHEMBL28432499 0.86 ATM (0.32) ACE
SCHEMBL28211348 0.86 ACE (0.43) ACECA12CA1CA2CA9
SCHEMBL1543546 0.82 ACE (0.56) ACEREN
SCHEMBL187408 0.82 ACE (0.56) ACEREN
SCHEMBL750903 0.82 ACE (0.56) ACEREN

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
CN-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 — — CN disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 — — WO disclosed
US-9732066-B2 Heterocyclic derivative and pharmaceutical drug NIPPON SHINY AKU CO., LTD. (JP) 2017-08-15 — — US disclosed
WO-2017046606-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 — — WO disclosed
US-20160046612-A1 Heterocyclic Derivative and Pharmaceutical Drug NIPPON SHINYAKU CO., LTD. (JP) 2016-02-18 — — US disclosed
US-9216968-B2 Heterocyclic derivative and pharmaceutical drug NIPPON SHINYAKU CO., LTD. (JP) 2015-12-22 — — US disclosed
EP-2746265-B1 HETEROCYCLIC DERIVATIVE AS MICROSOMAL PROSTAGLANDIN E SYNTHASE (mPGEs) INHIBITOR NIPPON SHINYAKU CO LTD (JP) 2015-11-18 — — EP disclosed
US-20140221339-A1 Heterocyclic Derivative and Pharmaceutical Drug NIPPON SHINYAKU CO., LTD. (JP) 2014-08-07 — — US disclosed
EP-2746265-A1 HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL DRUG Nippon Shinyaku Co., Ltd. (JP) 2014-06-25 — — EP disclosed
EP-2421853-B1 SYNTHESIS OF 3-{[(2R)-1-METHYLPYRROLIDIN-2-YL]METHYL}-5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE ITALIANA SINT SPA (IT) 2013-07-24 — — EP disclosed
US-8426612-B2 Synthesis of 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5[2-(phenylsulfonyl)ethyl]-1H-indole F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2013-04-23 — — US disclosed
WO-2010121673-A1 SYNTHESIS OF 3-{[(2R)-1-METHYLPYRROLIDIN-2-YL]METHYL}-5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2010-10-28 — — 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-20140221339-A1 Heterocyclic Derivative and Pharmaceutical Drug PTGES, PTGER1, PTGS1 ACE 934/4885CA12 2512/4885CA1 1088/4885
US-20160046612-A1 Heterocyclic Derivative and Pharmaceutical Drug PTGES, PTGER1, PTGS1 ACE 934/4885CA12 2512/4885CA1 1088/4885

“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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