SCHEMBL9436741

SCHEMBL9436741

COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 1.00
ALDH1A1 P00352 6/20 0.76
MAPT P10636 4/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
ADRB2 P07550 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 1/20 0.63
USP2 O75604 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL19602435 0.86 GLA (0.76) GLAALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL14696849 0.85 GLA (0.74) GLAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3348685 0.84 GLA (0.73) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL12793847 0.84 CYP2C9 (0.78) GLAALDH1A1MAPTKMT2AADRB2
SCHEMBL14697020 0.82 KMT2A (0.74) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL26313603 0.82 ALDH1A1 (0.97) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL2981180 0.82 ALDH1A1 (0.97) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL28352130 0.82 CYP2C9 (0.80) GLAALDH1A1MAPTKMT2AADRB2
SCHEMBL12793844 0.81 TDP1 (0.72) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL14696933 0.81 KMT2A (0.76) GLAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110759889-B 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2022-05-20 CN disclosed
US-20210380546-A1 VACCINE ADJUVANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-09 US disclosed
CN-110759889-A 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2020-02-07 CN disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 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 (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-20210380546-A1 VACCINE ADJUVANT IFNG, TLR9, LY96 GLA 260/4885ALDH1A1 2763/4885MAPT 3123/4885

“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.