SCHEMBL3202976

SCHEMBL3202976

COC(=O)N(CCC(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A3 O75751 1/20 0.40
GPR3 P46089 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL31355071 1.00 KMT2A (0.40) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL16718185 0.93 KMT2A (0.43) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL1001580 0.92 KMT2A (0.45) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL4922980 0.91 KMT2A (0.47) KMT2ASLC22A2SLC22A3CYP2D6SLC6A2
SCHEMBL5840878 0.91 KMT2A (0.47) KMT2ASLC22A2SLC22A3CYP2D6SLC6A2
SCHEMBL17211371 0.88 ALDH1A1 (0.39) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL2173884 0.88 ALDH1A1 (0.39) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL20767261 0.88 ALDH1A1 (0.39) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL17435149 0.88 ALDH1A1 (0.39) KMT2ASLC22A2SLC22A3GPR3CYP2D6
SCHEMBL27666697 0.87 GPR3 (0.41) KMT2ASLC22A2SLC22A3GPR3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 WO disclosed
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 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 (3 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS KMT2A 3145/4885SLC22A2 4138/4885SLC22A3 4088/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS KMT2A 4757/4885SLC22A2 2411/4885SLC22A3 1838/4885
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS KMT2A 2404/4885SLC22A2 388/4885SLC22A3 202/4885

“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.