SCHEMBL8417460

SCHEMBL8417460

CC(=O)OC[C@@H](NC(=O)OCc1ccccc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ELANE P08246 1/20 0.45
ATM Q13315 1/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTRB1 P17538 2/20 0.44
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSB P07858 1/20 0.42
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2479865 0.84 CASP1 (0.49) CTRB1
SCHEMBL2479868 0.84 CASP1 (0.49) CTRB1
SCHEMBL27850286 0.81 ATM (0.46) ELANEATMCYP3A4TSHRCTRB1
SCHEMBL11475132 0.79 ATM (0.53) ATMCYP3A4ALOX15CYP2D6CYP2C9
SCHEMBL1958368 0.78 CASP1 (0.44) CTRB1
SCHEMBL14673026 0.76 ALDH1A1 (0.58) ALDH1A1ATMALOX15CTRB1CTSK
SCHEMBL14673025 0.76 ALDH1A1 (0.58) ALDH1A1ATMALOX15CTRB1CTSK
SCHEMBL8224544 0.75 SYK (0.47) ALDH1A1ATMCYP3A4ALOX15CYP2D6
SCHEMBL8435448 0.75 ALDH1A1 (0.57) ALDH1A1ELANEATMALOX15CTRB1
SCHEMBL7373911 0.75 ALDH1A1 (0.57) ALDH1A1ELANEATMALOX15CTRB1

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-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ALDH1A1 1369/4885ELANE 49/4885ATM 2540/4885

“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.