SCHEMBL12977184

SCHEMBL12977184

CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.67
▸ USP2 O75604 2/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ PKM P14618 3/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ HTT P42858 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ HCRTR1 O43613 1/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL1723104 0.86 NPC1 (0.76) LMNAUSP2ALOX15NPC1RAB9A
SCHEMBL17331315 0.86 ALDH1A1 (0.69) LMNAALDH1A1GAASMN1; SMN2POLB
SCHEMBL2704288 0.86 LMNA (0.79) LMNAUSP2ALOX15RAB9AALDH1A1
SCHEMBL10645075 0.82 EPHX2 (0.58) LMNAALOX15NPC1RAB9APOLB
SCHEMBL17343060 0.81 POLB (0.54) LMNAUSP2ALOX15ALDH1A1GAA
SCHEMBL2703016 0.81 ALDH1A1 (0.86) LMNAUSP2ALOX15ALDH1A1GAA
SCHEMBL15155035 0.80 POLB (0.61) LMNAUSP2ALOX15NPC1RAB9A
SCHEMBL28023890 0.79 LMNA (0.81) LMNAUSP2ALOX15ALDH1A1GAA
SCHEMBL16615636 0.78 CRHBP (0.73) LMNAUSP2ALOX15NPC1RAB9A
SCHEMBL2702370 0.78 HTT (0.76) LMNAUSP2ALOX15ALDH1A1GAA

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-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2021-07-01 — — US disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 — — US disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 — — EP disclosed
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 — — EP disclosed
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2019-11-14 — — US disclosed
US-20190241523-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS SCHRÖDINGER, INC. 2019-08-08 — — US disclosed
EP-3241554-A1 QUINOLINE-8-SULFONAMIDE DERIVATES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2017-11-08 — — EP disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 — — EP disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 — — 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-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 LMNA 1232/4885USP2 3887/4885ALOX15 3496/4885
US-20190241523-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 LMNA 1232/4885USP2 3887/4885ALOX15 3496/4885
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 LMNA 1232/4885USP2 3887/4885ALOX15 3496/4885
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 LMNA 1232/4885USP2 3887/4885ALOX15 3496/4885
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 LMNA 1232/4885USP2 3887/4885ALOX15 3496/4885

“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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