SCHEMBL9998613

SCHEMBL9998613

CCN(C(=O)C(NS(C)(=O)=O)C(C)C)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 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
SCHEMBL9998969 0.91 ESR1 (0.43) ESR1HPGDMAPTLMNAPOLB
SCHEMBL173483 0.80 ALDH1A1 (0.49) HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL11531 0.79 LMNA (0.52) ESR1HPGDMAPTLMNAPOLB
SCHEMBL20308881 0.77 ESR1 (0.44) ESR1HPGDMAPTLMNAMEN1
SCHEMBL20264528 0.75 ALDH1A1 (0.47) ESR1MAPTLMNAHSD17B10MEN1
SCHEMBL29940280 0.75 ALDH1A1 (0.47) ESR1MAPTLMNAHSD17B10MEN1
SCHEMBL10941845 0.72 ESR1 (0.49) ESR1HPGDLMNAPOLBSMN1; SMN2
SCHEMBL30994793 0.72 ESR1 (0.49) ESR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL11250 0.70 ALDH1A1 (0.51) ESR1HPGDMAPTPOLBHSD17B10
SCHEMBL4286533 0.70 ESR1 (0.48) ESR1LMNAPOLBSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-12-28 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 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 (4 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ESR1 1798/4885HPGD 1675/4885MAPT 4737/4885
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF CBR3, PFAS, PAH ESR1 3369/4885HPGD 3364/4885MAPT 2467/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ESR1 1798/4885HPGD 1675/4885MAPT 4737/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ESR1 1798/4885HPGD 1675/4885MAPT 4737/4885

“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.