SCHEMBL433978

SCHEMBL433978

O=C(N[C@@H](C(=O)O)C1CCCCC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
EPHX1 P07099 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.51
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
CTRB1 P17538 2/20 0.49
DPP4 P27487 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP1 P29466 1/20 0.47

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
SCHEMBL22285592 1.00 ALDH1A1 (0.56) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL22285596 1.00 ALDH1A1 (0.56) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL433979 1.00 ALDH1A1 (0.56) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL2326093 1.00 ALDH1A1 (0.56) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL9398324 1.00 ALDH1A1 (0.56) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL25447123 1.00 ALDH1A1 (0.56) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL7333566 0.99 ALDH1A1 (0.54) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL7810127 0.99 ALDH1A1 (0.54) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL7337637 0.96 ALDH1A1 (0.52) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL2163641 0.93 CTRB1 (0.52) ALDH1A1MEN1KMT2AGAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477639-B1 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1995-04-12 EP claimed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2024-04-18 US disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 US disclosed
EP-2595983-A1 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2013-05-29 EP disclosed
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2013-05-16 US disclosed
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2013-05-16 US disclosed
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2013-05-16 US disclosed
WO-2012010663-A9 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2013-01-24 WO disclosed
WO-2012010663-A9 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2013-01-24 WO disclosed
CN-102485743-A Antineoplastic compound BEIJING HANMEI PHARMACEUTICAL CO LTD 2012-06-06 CN disclosed
WO-2012010663-A1 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2012-01-26 WO disclosed
WO-2012010663-A1 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2012-01-26 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 (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-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof TPMT, CYP3A5, CYP11B2 ALDH1A1 283/4885EPHX1 1440/4885MEN1 2306/4885
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 ALDH1A1 3199/4885EPHX1 699/4885MEN1 452/4885

“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.