SCHEMBL21144376

SCHEMBL21144376

CC(=O)NC(CSCCCSCC(N)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 3/20 0.54
▸ NOS1 P29475 2/20 0.49
▸ NOS3 P29474 1/20 0.49
▸ ARG1 P05089 1/20 0.46
▸ ARG2 P78540 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ICMT O60725 1/20 0.39
▸ GNPAT O15228 1/20 0.38
▸ BHMT Q93088 2/20 0.37

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
SCHEMBL21165632 1.00 NOS2 (0.54) NOS2NOS1NOS3ARG1ARG2
SCHEMBL21144523 0.90 MAPT (0.52) NOS2MAPTALDH1A1KDM4ETHRB
SCHEMBL19469422 0.86 NOS2 (0.54) NOS2NOS1NOS3ARG1ARG2
SCHEMBL19469425 0.86 NOS2 (0.54) NOS2NOS1NOS3ARG1ARG2
SCHEMBL19469426 0.86 BHMT (0.51) NOS2NOS1NOS3MAPTALDH1A1
SCHEMBL18979844 0.83 MAPT (0.45) NOS2NOS1NOS3MAPTALDH1A1
SCHEMBL18979845 0.83 MAPT (0.45) NOS2NOS1NOS3MAPTALDH1A1
SCHEMBL10043024 0.82 MAPT (0.47) NOS2MAPTALDH1A1KDM4ETHRB
SCHEMBL27075214 0.82 MAPT (0.47) NOS2MAPTALDH1A1KDM4ETHRB
SCHEMBL4953347 0.82 ICMT (0.49) MAPTALDH1A1KDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730829-B2 Compound exhibiting anti-oxidative or anti-inflammatory activity UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2020-08-04 — — US disclosed
US-20190218178-A1 NOVEL COMPOUND EXHIBITING ANTI-OXIDATIVE OR ANTI-INFLAMMATORY ACTIVITY UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2019-07-18 — — 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-10730829-B2 Compound exhibiting anti-oxidative or anti-inflammatory activity MPO, LPO, GPX1 NOS2 24/4885NOS1 17/4885NOS3 28/4885
US-20190218178-A1 NOVEL COMPOUND EXHIBITING ANTI-OXIDATIVE OR ANTI-INFLAMMATORY ACTIVITY MPO, LPO, TYR NOS2 22/4885NOS1 18/4885NOS3 31/4885

“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.

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