SCHEMBL16714724

SCHEMBL16714724

COCC(=O)NC(C)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
PARP1 P09874 1/20 0.59
GAA P10253 2/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GPR139 Q6DWJ6 2/20 0.56
HPGD P15428 1/20 0.56
NPC1 O15118 1/20 0.55

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
SCHEMBL5016632 1.00 TSHR (0.73) TSHRMEN1KMT2APOLBMAPT
SCHEMBL6252896 0.85 ACACB (0.56) TSHRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6254231 0.85 ACACB (0.56) TSHRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13772497 0.85 MEN1 (0.54) TSHRMEN1KMT2APOLBMAPT
SCHEMBL23135445 0.83 MAPT (0.65) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL5696772 0.83 ALDH1A1 (0.73) MEN1KMT2APOLBMAPTLMNA
SCHEMBL6253330 0.83 ACACB (0.55) TSHRMEN1KMT2APOLBMAPT
SCHEMBL13683332 0.83 ALDH1A1 (0.63) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL7714868 0.83 ALDH1A1 (0.63) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL7684929 0.83 ACACB (0.55) TSHRMEN1KMT2APOLBMAPT

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-20240353322-A1 COMBINED DETERMINATION OF THE CONCENTRATION AND ENANTIOMERIC COMPOSITION OF CHIRAL COMPOUNDS USING SINGLE CHIROPTICAL ASSAY GEORGETOWN UNIVERSITY 2024-10-24 US disclosed
US-20240229089-A1 A process for enzymatic synthesis of amides from amines and carboxylic acids or esters XP CHEMISTRIES AB (SE) 2024-07-11 US disclosed
EP-4308714-A1 A PROCESS FOR ENZYMATIC SYNTHESIS OF AMIDES FROM AMINES AND CARBOXYLIC ACIDS OR ESTERS XP Chemistries AB (SE) 2024-01-24 EP disclosed
WO-2022229314-A1 A PROCESS FOR ENZYMATIC SYNTHESIS OF AMIDES FROM AMINES AND CARBOXYLIC ACIDS OR ESTERS XP CHEMISTRIES AB (SE) 2022-11-03 WO disclosed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US disclosed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-25 US disclosed
US-20150140588-A1 Lipase Variants and Polynucleotides Encoding Same NOVOZYMES A/S (DK) 2015-05-21 US 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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS TSHR 901/4885MEN1 4799/4885KMT2A 2855/4885
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS TSHR 901/4885MEN1 4799/4885KMT2A 2855/4885

“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.