SCHEMBL7016526

SCHEMBL7016526

O=C(S)CCc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 6/20 0.43
PPARG P37231 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
PDPK1 O15530 1/20 0.40
CYP2A6 P11509 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PLAAT3 P53816 1/20 0.37

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
SCHEMBL17996742 0.84 FFAR1 (0.57) CYP1A2FFAR1PPARGPLA2G10PLA2G2A
SCHEMBL7016496 0.79 CYP1A2 (0.44) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL7016529 0.77 FFAR1 (0.41) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL11274932 0.77 PYGL (0.57) CYP1A2TP53MAPTFFAR1TRPV1
SCHEMBL16596060 0.76 CYP4F2 (0.56) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL16414452 0.76 CYP2A6 (0.46) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL16414453 0.76 KDM4E (0.47) CYP1A2KDM4EMAPTCYP2A6
SCHEMBL16596058 0.74 SMN1; SMN2 (0.43) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL7009077 0.73 CYP1A2 (0.48) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL11469526 0.73 PTGS1 (0.59) KDM4ELMNAMAPTPPARGCYP2A6

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-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 CYP1A2 908/4885KDM4E 533/4885NPC1 4093/4885

“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.