SCHEMBL2995782

SCHEMBL2995782

COC(=O)CCN1C(=O)c2cscc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.45
KAT2B Q92831 3/20 0.44
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 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
SCHEMBL2990451 0.90 KMT2A (0.50) KAT2BPKMALDH1A1MAPTKMT2A
SCHEMBL12235840 0.81 HPGD (0.62) CASP3HPGDPKMALDH1A1MAPT
SCHEMBL18670938 0.73 KAT2B (0.47) CASP3KAT2BHPGDPKMALDH1A1
SCHEMBL5165436 0.73 KAT2B (0.49) CASP3KAT2BHPGDPKMALDH1A1
SCHEMBL2992093 0.72 CASP3 (0.45) CASP3KAT2BHPGDPKMALDH1A1
SCHEMBL12601339 0.72 MEN1 (0.39) PKMALDH1A1KMT2AMEN1
SCHEMBL28908599 0.72 KMT2A (0.70) ALDH1A1MAPTKMT2AMEN1
SCHEMBL2998834 0.72 CASP3 (0.42) CASP3KAT2BHPGDALDH1A1MAPT
SCHEMBL11453214 0.71 HPGD (0.55) HPGDPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL29256393 0.71 KMT2A (0.56) HPGDPKMALDH1A1MAPTSMN1; SMN2

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-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
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 CASP3 19/4885KAT2B 3405/4885HPGD 169/4885

“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.