SCHEMBL2228391

SCHEMBL2228391

O=C(CNC(=O)OCc1ccccc1)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PREP P48147 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 1/20 0.42
HTT P42858 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41

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
SCHEMBL23630151 0.96 ALDH1A1 (0.56) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL7360933 0.87 HTR2C (0.48) ALDH1A1HTR2CHTR2BPREPMEN1
Proline SCHEMBL28412300 0.84 ALDH1A1 (0.54) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL9464997 0.82 ALDH1A1 (0.58) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL9464553 0.82 ALDH1A1 (0.58) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL3447413 0.82 TSHR (0.51) ALDH1A1HTR2CHTR2BTSHRGAA
SCHEMBL4758450 0.82 TSHR (0.51) ALDH1A1HTR2CHTR2BTSHRGAA
SCHEMBL489770 0.82 TSHR (0.51) ALDH1A1HTR2CHTR2BTSHRGAA
SCHEMBL630517 0.81 TSHR (0.63) ALDH1A1HTR2CHTR2BTSHRGAA
SCHEMBL693351 0.81 TSHR (0.63) ALDH1A1HTR2CHTR2BTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845563-A FAP alpha enzyme activated podophyllotoxin derivative and preparation method and application thereof 遵义医药高等专科学校 2021-12-28 CN claimed
US-20020147317-A1 Fluorogenic compounds and uses therefor 3M INNOVATIVE PROPETIES COMPANY 2002-10-10 US claimed
US-6372895-B1 USEFUL IN ASSAYING FOR BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US claimed
EP-0416282-B1 Microbiologically produced N-Acyl-L-proline-acylase, process for its production and its use DEGUSSA (DE) 1994-09-14 EP claimed
US-5219741-A Reacting in the presence of microbiologically produced N-acyl-L-proline acylase DEGUSSA AG (DE) 1993-06-15 US claimed
US-5120652-A Synthesis of proline from acyl derivatives; thermostable DEGUSSA AG (DE) 1992-06-09 US claimed
EP-0416282-A1 Microbiologically produced N-Acyl-L-proline-acylase, process for its production and its use Degussa Aktiengesellschaft (DE) 1991-03-13 EP claimed
JP-1074987-A None JP disclosed
CN-112714649-B Cyclic dinucleotide derivatives and antibody drug conjugates thereof 第一三共株式会社 2024-07-02 CN disclosed
CN-113845563-B FAP alpha enzyme activated podophyllotoxin derivative and preparation method and application thereof 遵义医药高等专科学校 2024-02-20 CN disclosed
CN-113845563-A FAP alpha enzyme activated podophyllotoxin derivative and preparation method and application thereof 遵义医药高等专科学校 2021-12-28 CN disclosed
US-10377774-B2 Vinblastine derivatives, preparation method therefor and application thereof JINAN UNIVERSITY (CN) 2019-08-13 US disclosed
EP-2516666-B1 METHODS OF DETECTING MICROORGANISMS AND KITS THEREFORE 3M INNOVATIVE PROPERTIES CO (US) 2016-04-20 EP disclosed
US-6566508-B2 Compound for use in the accurate detection of food parasites 3M INNOVATIVE PROPERTIES COMPANY 2003-05-20 US disclosed
US-20020147317-A1 Fluorogenic compounds and uses therefor 3M INNOVATIVE PROPETIES COMPANY 2002-10-10 US disclosed
US-6372895-B1 USEFUL IN ASSAYING FOR BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US disclosed
US-5219741-A Reacting in the presence of microbiologically produced N-acyl-L-proline acylase DEGUSSA AG (DE) 1993-06-15 US disclosed
US-5120652-A Synthesis of proline from acyl derivatives; thermostable DEGUSSA AG (DE) 1992-06-09 US disclosed
JP-S6474987-A NOVEL PROLINE ACYLASE AND ITS PRODUCTION DAICEL CHEM 1989-03-20 JP disclosed
JP-S06474987-A 0001-01-01 JP 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-20020147317-A1 Fluorogenic compounds and uses therefor NOTUM, WEE1, CPSF7 ALDH1A1 762/4885HTR2C 3952/4885HTR2B 3959/4885
US-10377774-B2 Vinblastine derivatives, preparation method therefor and application thereof WEE1, WEE2, VIP ALDH1A1 1008/4885HTR2C 4741/4885HTR2B 4602/4885

“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.