SCHEMBL7010071

SCHEMBL7010071

COC(=O)CCSCc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.46
HPGD P15428 5/20 0.45
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL7018387 0.86 LMNA (0.56) ALDH1A1ABL1RIN1TDP1MAPT
SCHEMBL8782904 0.79 MAPT (0.42) ALDH1A1ABL1RIN1TDP1MAPT
SCHEMBL7016500 0.79 MAPT (0.52) ALDH1A1ABL1RIN1TDP1MAPT
SCHEMBL11469720 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AHPGDPOLB
SCHEMBL13870200 0.75 ALDH1A1 (0.60) ALDH1A1ABL1RIN1TDP1MAPT
SCHEMBL7015132 0.75 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL11463930 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBGAA
SCHEMBL3702124 0.74 MEN1 (0.56) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL8895881 0.73 CYP2C19 (0.66) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL1221958 0.73 GAA (0.48) ALDH1A1MAPTKMT2APOLBGAA

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 ALDH1A1 4317/4885ABL1 955/4885RIN1 328/4885

“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.