SCHEMBL6746239

SCHEMBL6746239

C[C@@H](O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
KCNN4 O15554 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL6746235 1.00 MME (0.42) MMEKCNN4CYP1A2CYP2D6LMNA
SCHEMBL9510102 0.98 MME (0.41) MMEKCNN4CYP1A2CYP2D6LMNA
SCHEMBL9510086 0.98 MME (0.41) MMEKCNN4CYP1A2CYP2D6LMNA
Diethylamine SCHEMBL29401085 0.91 KCNN4 (0.42) MMEKCNN4CYP1A2CYP2D6CA2
SCHEMBL29964869 0.88 KIF11 (0.47) LMNAGAASMN1; SMN2MMP2MMP3
SCHEMBL29421922 0.87 LMNA (0.46) MMEKCNN4CYP1A2CYP2D6LMNA
SCHEMBL5413934 0.85 KMT2A (0.43) KCNN4CYP1A2CYP2D6KIF11MAPT
SCHEMBL12379297 0.85 KMT2A (0.43) KCNN4CYP1A2CYP2D6KIF11MAPT
SCHEMBL9510094 0.85 CYP1A2 (0.38) MMEKCNN4CYP1A2CYP2D6HDAC3
SCHEMBL1109144 0.85 KMT2A (0.43) KCNN4CYP1A2CYP2D6KIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
WO-2014110706-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
US-6693168-B1 CATALYSTS FOR PREPARING CHIRAL AMINO ACIDS THE TRUSTEES OF BOSTON COLLEGE 2004-02-17 US disclosed
EP-0193904-B1 AMINO ACID DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-06 EP disclosed
US-4743614-A RESTORATIVE PROPERTIES INC IMMUNODEFICIENT HOSTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-10 US disclosed
EP-0193904-A2 Amino acid derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-10 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 (1 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-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, TPMT, RPL35 MME 836/4885KCNN4 4802/4885CYP1A2 47/4885

“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.