SCHEMBL3001925

SCHEMBL3001925

COC(=O)CCN1C(=O)c2csc(-c3ccc(OC)c(OC(C)C)c3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRKCZ Q05513 2/20 0.38
PRKCI P41743 1/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
CASP3 P42574 3/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL2988976 0.96 LMNA (0.40) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL2994679 0.92 LMNA (0.44) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL2999671 0.88 PDE4B (0.42) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL2995604 0.86 TSHR (0.41) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL2993145 0.86 ALDH1A1 (0.42) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL2997644 0.84 TSHR (0.41) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL2994398 0.84 ABCB1 (0.46) LMNAMAPTALDH1A1PRKCZHSD17B10
SCHEMBL2996793 0.82 PDE4B (0.42) MAPTPDE4BHTT
SCHEMBL2993087 0.82 ABCB1 (0.48) LMNAMAPTALDH1A1HPGDCYP1A2
SCHEMBL2989819 0.81 TSHR (0.41) LMNAPOLBMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 LMNA 3369/4885POLB 2466/4885MAPT 4812/4885

“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.