SCHEMBL360407

SCHEMBL360407

CCOC(=O)N1[CH]CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 6/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL360446 0.94 TSHR (0.40) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL3832298 0.84 SMN1; SMN2 (0.46) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL361276 0.80 PKM (0.33) TSHRALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL9192901 0.79 LMNA (0.35) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL1428179 0.79 SMN1; SMN2 (0.47) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL2646799 0.77 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1MAPTTDP1
SCHEMBL2644912 0.76 L3MBTL1 (0.38) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL188772 0.76 HPGD (0.41) SMN1; SMN2ATMMEN1KMT2A
SCHEMBL2646658 0.74 L3MBTL1 (0.46) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL22657953 0.74 HPGD (0.44) ALDH1A1SMN1; SMN2MAPTABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
EP-2970332-B1 CHEMICAL ENTITIES FUNDACIÓN CENTRO NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2018-02-28 EP claimed
US-9453031-B2 Chemical entities FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2016-09-27 US claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
US-20160024112-A1 CHEMICAL ENTITIES FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2016-01-28 US claimed
EP-2970332-A1 CHEMICAL ENTITIES Fundación Centro Nacional de Investigaciones Oncológicas Carlos III (ES) 2016-01-20 EP claimed
WO-2014140644-A1 CHEMICAL ENTITIES FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2014-09-18 WO claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP claimed
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 CN claimed
US-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US claimed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2003044009-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2003044000-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP claimed
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists ORTHO-MCNEIL PHARMACEUTICAL CORPORATION 2002-08-01 US claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed
WO-2001000656-A2 NOVEL INDAZOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 WO claimed
WO-2001000657-A2 NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 WO claimed
WO-2001000659-A1 BENZIMIDAZOLONE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 WO claimed

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-20160024112-A1 CHEMICAL ENTITIES ATR, RB1, TP53 TSHR 1221/4885ALDH1A1 814/4885POLB 391/4885
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists F2RL1, F2R, IDO2 TSHR 1118/4885ALDH1A1 3178/4885POLB 4314/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A TSHR 4760/4885ALDH1A1 597/4885POLB 118/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A TSHR 4760/4885ALDH1A1 597/4885POLB 118/4885
US-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 TSHR 4127/4885ALDH1A1 47/4885POLB 557/4885

“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.