Sugi Predict

Sugi Predict / Compounds / SCHEMBL311526

SCHEMBL311526

SCHEMBL311526

NCC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.65
▸ SRD5A2 P31213 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ WNT3A P56704 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ACHE P22303 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ P2RX1 P51575 1/20 0.51
▸ PTGS1 P23219 3/20 0.51
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49

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
Hydrochloric Acid SCHEMBL29394516 0.98 CES2 (0.62) CES2SRD5A2CTNNB1WNT3APOLB
Hydrochloric Acid SCHEMBL310751 0.98 CES2 (0.62) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL30758861 0.85 CES2 (0.69) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2073691 0.84 ACHE (0.72) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL1712437 0.84 CES2 (0.67) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL4314619 0.83 CES2 (0.61) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL9536997 0.83 CES2 (0.61) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL10274701 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2379125 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL716488 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
US-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
CN-115667252-A N- (1-cyano-pyrrolidin-3-yl) -5- (3- (trifluoromethyl) phenyl) oxazole-2-carboxamide derivatives and corresponding oxadiazole derivatives as USP30 inhibitors for the treatment of mitochondrial dysfunction 特殊治疗有限公司 2023-01-31 — — CN disclosed
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 — — EP disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 — — US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 — — EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — WO disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 — — US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 — — WO disclosed
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 — — EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 — — US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 — — EP disclosed
US-4049650-A 1-[[[5-(Substituted phenyl)-2-oxazolyl]methylene]amino]-2,4-imidazolidinediones MORTON-NORWICH PRODUCTS, INC. (US) 1977-09-20 — — US disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 — — 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 (4 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-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION USP30, UQCRC1, NDUFAF1 CES2 2164/4885SRD5A2 2738/4885CTNNB1 2820/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CES2 3644/4885SRD5A2 4465/4885CTNNB1 3551/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A CES2 3259/4885SRD5A2 69/4885CTNNB1 3074/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CES2 3644/4885SRD5A2 4465/4885CTNNB1 3551/4885

“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.