SCHEMBL2524937

SCHEMBL2524937

COC(=O)C(O)C(NCc1ccccc1)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2491875 0.82 KMT2A (0.57) CYP3A4CYP2C19MEN1KMT2AMAPT
SCHEMBL2491083 0.76 CNR2 (0.51) TSHRCYP3A4CYP2C19MEN1KMT2A
SCHEMBL2487337 0.76 TDP1 (0.49) CYP3A4CYP2C19CYP2D6CYP2C9MEN1
SCHEMBL14039791 0.76 LMNA (0.40) TSHRCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL20442882 0.76 MAPT (0.54) TSHRCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL6712871 0.75 ESR1 (0.47) TSHRCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2488953 0.73 CYP2C9 (0.46) CYP2C19CYP2D6CYP2C9MEN1KMT2A
SCHEMBL9000694 0.72 CES2 (0.56) TSHRCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL7997322 0.72 KMT2A (0.58) CYP3A4CYP2C19MEN1KMT2AMAPT
SCHEMBL2485290 0.71 MAPT (0.49) MEN1KMT2AMAPTL3MBTL1TRPM8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624051-B2 Process for the preparation of isoserine derivatives INDENA S.P.A. (IT) 2014-01-07 US disclosed
US-20130090493-A1 PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES INDENA S.P.A (IT) 2013-04-11 US disclosed
EP-2558439-A1 A PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES Indena S.p.A. (IT) 2013-02-20 EP disclosed
EP-2380871-B1 A process for the preparation of isoserine derivatives INDENA SPA (IT) 2013-01-09 EP disclosed
EP-2380871-A1 A process for the preparation of isoserine derivatives Indena S.p.A. (IT) 2011-10-26 EP disclosed
WO-2011128353-A1 A PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES INDENA S.P.A. (IT) 2011-10-20 WO 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-20130090493-A1 PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES ICMT, PGLS, PCMT1 TSHR 2428/4885CYP3A4 2084/4885CYP2C19 3304/4885

“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.