SCHEMBL17953261

SCHEMBL17953261

O=C(O)CCN1C(=O)C=CC1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
MAPK1 P28482 1/20 0.40
ACE P12821 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17325350 1.00 PTGS1 (0.41) PTGS1PTGS2MAPK1ACEALDH1A1
SCHEMBL18402748 0.89 PTGS1 (0.46) PTGS1PTGS2MAPK1ALDH1A1MEN1
SCHEMBL12629192 0.86 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL26312049 0.86 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL18523565 0.85 KDM4E (0.36) PTGS1PTGS2MAPK1SMN1; SMN2KDM4E
SCHEMBL25148661 0.84 CA1 (0.34) MAPK1ALDH1A1
SCHEMBL22843961 0.82 PTGS1 (0.32) PTGS1PTGS2KDM4E
SCHEMBL23181699 0.81 PTGS1 (0.36) PTGS1PTGS2MAPK1
SCHEMBL18930109 0.80 PTGS1 (0.40) PTGS1PTGS2MAPK1ACEALDH1A1
SCHEMBL14554023 0.80 MAPK1 (0.36) PTGS1PTGS2MAPK1ACEALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387615-A1 COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF DANMARKS TEKNISKE UNIVERSITET (DK) 2022-12-08 US disclosed
US-20220023437-A1 HUMANIZED ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2022-01-27 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
EP-2111872-B1 HYDROGEL CONJUGATES ASCENDIS PHARMA GMBH (DE) 2020-12-23 EP disclosed
US-10265291-B2 Disulfur bridge linkers for conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-04-23 US disclosed
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-23 US disclosed
EP-3085388-A1 HYPERBRANCHED POLYMER CONJUGATES VIA NON-ENZYMATIC CLEAVABLE LINKER Ascendis Pharma Growth Disorders Division A/S (DK) 2016-10-26 EP disclosed
EP-2090323-B1 Hyperbranched polymer conjugates via non-enzymatic cleavable linker ASCENDIS PHARMA GROWTH DISORDERS DIVISION AS (DK) 2016-07-27 EP 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-20220023437-A1 HUMANIZED ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE CD99, CD79B, CD47 PTGS1 4090/4885PTGS2 3843/4885MAPK1 4816/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 PTGS1 3336/4885PTGS2 4312/4885MAPK1 1789/4885
US-20220387615-A1 COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF ADAM17, ADAM8, ADAM33 PTGS1 3550/4885PTGS2 3746/4885MAPK1 3951/4885
US-10265291-B2 Disulfur bridge linkers for conjugation of a cell-binding molecule CD74, CD2, EPCAM PTGS1 3243/4885PTGS2 3324/4885MAPK1 3649/4885
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE ANTXR2, SLC47A2, SLC47A1 PTGS1 1438/4885PTGS2 1069/4885MAPK1 3351/4885

“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.