SCHEMBL2994679

SCHEMBL2994679

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCZ Q05513 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CASP3 P42574 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
KAT2B Q92831 1/20 0.39

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
SCHEMBL2999671 0.93 PDE4B (0.42) LMNAALDH1A1MAPK1HPGDMAPT
SCHEMBL2993145 0.93 ALDH1A1 (0.42) LMNAALDH1A1HPGDMAPTPRKCZ
SCHEMBL2988976 0.92 LMNA (0.40) LMNAALDH1A1MAPK1HPGDMAPT
SCHEMBL3001925 0.92 LMNA (0.40) LMNAALDH1A1MAPK1HPGDMAPT
SCHEMBL2995604 0.91 TSHR (0.41) LMNAALDH1A1MAPK1HPGDMAPT
SCHEMBL2997644 0.91 TSHR (0.41) LMNAALDH1A1MAPK1HPGDMAPT
SCHEMBL2994398 0.89 ABCB1 (0.46) LMNAALDH1A1MAPTHSD17B10PRKCZ
SCHEMBL2996793 0.89 PDE4B (0.42) MAPT
SCHEMBL2993087 0.89 ABCB1 (0.48) LMNAALDH1A1HPGDMAPTHSD17B10
SCHEMBL2989819 0.86 TSHR (0.41) LMNAALDH1A1MAPK1HPGDMAPT

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 3369/4885ALDH1A1 1039/4885MAPK1 889/4885

“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.