SCHEMBL162828

SCHEMBL162828

CC(C)(C)NC(=O)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MPO P05164 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM5A P29375 1/20 0.54
BLM P54132 1/20 0.54
GFER P55789 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ESRRG P62508 3/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL17865779 0.91 LMNA (0.58) LMNAHTTCYP2C9SMN1; SMN2MAPT
SCHEMBL28915715 0.89 LMNA (0.48) TSHRMPOCYP3A4KDM5ABLM
SCHEMBL2522600 0.84 LMNA (0.53) LMNAHTTCYP2C9SMN1; SMN2MAPT
SCHEMBL25753418 0.83 LMNA (0.51) LMNAHTTCYP2C9SMN1; SMN2MAPT
SCHEMBL2264435 0.83 ALDH1A1 (0.61) LMNAHTTSMN1; SMN2MAPTMEN1
SCHEMBL13762029 0.83 HDAC1 (0.67) LMNAHTTSMN1; SMN2MAPT
SCHEMBL13701770 0.83 HDAC2 (0.59) TSHRLMNAHTTSMN1; SMN2MAPT
SCHEMBL3716265 0.83 SRD5A2 (0.53) TSHRLMNAHTTCYP2C9SMN1; SMN2
SCHEMBL10577753 0.81 LMNA (0.50) LMNAHTTCYP2C9SMN1; SMN2MAPT
SCHEMBL8920815 0.81 LMNA (0.50) LMNAHTTCYP2C9SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589606-B1 TRANSITION METAL-CATALYZED PROTODECARBOXYLATION OF ALPHA-HALO-ACRYLIC ACID DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-09-20 EP disclosed
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
CN-110914234-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-06-23 CN disclosed
US-11584801-B2 Anti-5T4 antibodies and antibody-drug conjugates BYONDIS B.V. (NL) 2023-02-21 US disclosed
CN-108341752-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2022-12-23 CN disclosed
US-11382982-B2 Duocarmycin ADCs showing improved in vivo antitumor activity BYONDIS B.V. (NL) 2022-07-12 US disclosed
US-20210388115-A1 SITE-SPECIFIC CONJUGATION OF LINKER DRUGS TO ANTIBODIES AND RESULTING ADCS BYONDIS BV (NL) 2021-12-16 US disclosed
US-20210386867-A1 FILTERABLE DUOCARMYCIN-CONTAINING ANTIBODY-DRUG CONJUGATE COMPOSITIONS AND RELATED METHODS BYONDIS B.V. (NL) 2021-12-16 US disclosed
US-20210317231-A1 ANTI-5T4 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES BYONDIS BV (NL) 2021-10-14 US disclosed
US-11136633-B2 Site-specific conjugation of linker drugs to antibodies and resulting ADCS BYONDIS B.V. (NL) 2021-10-05 US disclosed
EP-0971709-A4 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2001-04-11 EP disclosed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
EP-0971709-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 2000-01-19 EP disclosed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009829-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 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 (6 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-11136633-B2 Site-specific conjugation of linker drugs to antibodies and resulting ADCS MCL1, CD44, GLS2 TSHR 1810/4885MPO 1199/4885CYP3A4 1184/4885
US-20210386867-A1 FILTERABLE DUOCARMYCIN-CONTAINING ANTIBODY-DRUG CONJUGATE COMPOSITIONS AND RELATED METHODS DAD1, MGAM, DDOST TSHR 4423/4885MPO 701/4885CYP3A4 1031/4885
US-20210317231-A1 ANTI-5T4 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES SLC5A7, SLC26A4, FUT4 TSHR 475/4885MPO 2973/4885CYP3A4 934/4885
US-11382982-B2 Duocarmycin ADCs showing improved in vivo antitumor activity CD38, BRCA1, TP53 TSHR 2833/4885MPO 476/4885CYP3A4 2141/4885
US-20210388115-A1 SITE-SPECIFIC CONJUGATION OF LINKER DRUGS TO ANTIBODIES AND RESULTING ADCS MCL1, CD44, GLS2 TSHR 1810/4885MPO 1199/4885CYP3A4 1184/4885
US-11584801-B2 Anti-5T4 antibodies and antibody-drug conjugates SLC5A7, SLC26A4, FUT4 TSHR 475/4885MPO 2973/4885CYP3A4 934/4885

“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.