SCHEMBL7016534

SCHEMBL7016534

O=C(O)CCSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMO O15229 3/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SDCBP O00560 1/20 0.43
SDC2 P34741 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 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
SCHEMBL27191704 0.84 HPGD (0.57) SMN1; SMN2HPGDNPC1CYP1A2CYP3A4
SCHEMBL3499810 0.83 PRNP (0.55) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL7016500 0.81 MAPT (0.52) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL4408369 0.81 ALDH1A1 (0.51) TP53SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL7013458 0.80 TEAD1 (0.55) TP53SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL11068279 0.79 HTT (0.53) TP53SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL7078809 0.79 HPGD (0.53) SMN1; SMN2HPGDNPC1CYP1A2CYP3A4
SCHEMBL949030 0.79 HTT (0.53) SMN1; SMN2HPGDNPC1RAB9APKM
SCHEMBL7018220 0.79 CYP2A6 (0.43) TP53HPGDNPC1CYP1A2CYP3A4
SCHEMBL30888553 0.79 FABP4 (0.43) TP53SMN1; SMN2HPGDNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH TP53 4391/4885SMN1; SMN2 3830/4885KMO 1942/4885

“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.