SCHEMBL2995869

SCHEMBL2995869

COC(=O)CCN1C(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
GSTP1 P09211 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL2994398 0.86 ABCB1 (0.46) LMNACASP3ALDH1A1MAPTMGAM
SCHEMBL2998834 0.81 CASP3 (0.42) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL2994679 0.77 LMNA (0.44) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL2999671 0.75 PDE4B (0.42) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL2995604 0.74 TSHR (0.41) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL2997644 0.74 TSHR (0.41) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL2988976 0.72 LMNA (0.40) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL3001925 0.72 LMNA (0.40) LMNACASP3ALDH1A1MAPTCYP1A2
SCHEMBL2996891 0.70 ABCB1 (0.49) CASP3ALDH1A1MAPTHPGDNPC1
SCHEMBL2996793 0.70 PDE4B (0.42) MAPT

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 3369/4885CASP3 19/4885ALDH1A1 1039/4885

“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.