SCHEMBL2995604

SCHEMBL2995604

CCCOc1cc(-c2scc3c2C(=O)N(CCC(=O)OC)C3=O)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
PDE4B Q07343 3/20 0.37
PRKCZ Q05513 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.36
FPR2 P25090 1/20 0.36
CNR2 P34972 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL2997644 0.96 TSHR (0.41) TSHRALDH1A1MAPTHPGDCYP1A2
SCHEMBL2999671 0.93 PDE4B (0.42) TSHRALDH1A1MAPTHPGDCYP1A2
SCHEMBL2994679 0.91 LMNA (0.44) TSHRALDH1A1MAPTHPGDCYP1A2
SCHEMBL2993145 0.89 ALDH1A1 (0.42) TSHRALDH1A1MAPTHPGDCYP1A2
SCHEMBL2994398 0.86 ABCB1 (0.46) TSHRALDH1A1MAPTLMNAPDE4B
SCHEMBL3001925 0.86 LMNA (0.40) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL2989819 0.86 TSHR (0.41) TSHRALDH1A1MAPTHPGDCYP1A2
SCHEMBL2988976 0.84 LMNA (0.40) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL2986800 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL2993087 0.83 ABCB1 (0.48) ALDH1A1MAPTHPGDCYP1A2CYP3A4

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 TSHR 1213/4885ALDH1A1 1039/4885MAPT 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.