SCHEMBL6003121

SCHEMBL6003121

O=S(=O)(c1[c]cccc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 6/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MCOLN3 Q8TDD5 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5146481 0.98 TSHR (0.56) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3982616 0.96 TSHR (0.48) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6749308 0.85 KDM4E (0.61) CYP2C19ALDH1A1GAAMEN1KMT2A
SCHEMBL5657049 0.84 L3MBTL1 (0.43) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1855017 0.84 KMT2A (0.51) TSHRALDH1A1GAALMNASMN1; SMN2
SCHEMBL6749538 0.84 ALDH1A1 (0.44) TSHRCYP2C9CYP2C19ALDH1A1GAA
SCHEMBL5438658 0.84 PKM (0.49) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6745871 0.84 POLB (0.57) TSHRALDH1A1USP2LMNASMN1; SMN2
SCHEMBL6749559 0.83 KDM4E (0.63) CYP2C19ALDH1A1GAAMEN1KMT2A
SCHEMBL5656834 0.83 APEX1 (0.43) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
WO-2024009215-A1 NOVEL COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-11 WO claimed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US disclosed
WO-2024009215-A1 NOVEL COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-11 WO disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed
US-4289526-A FUNGICIDES, HERBICIDES, BACTERICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-15 US disclosed
US-4277469-A FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-07-07 US disclosed
US-4217129-A Fungicidal and herbicidal triazole ketones IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 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-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR TSHR 4751/4885CYP3A4 2997/4885CYP2C9 1949/4885

“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.