SCHEMBL4866347

SCHEMBL4866347

CC(=S)[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C19 P33261 3/20 0.55
TSHR P16473 1/20 0.55
HIF1A Q16665 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 3/20 0.48
KCNA5 P22460 3/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
AVPR1A P37288 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4874493 0.86 CYP2D6 (0.61) ALDH1A1CYP3A4CYP2C19TSHRMEN1
SCHEMBL4870815 0.84 CYP1A2 (0.62) ALDH1A1CYP3A4CYP2C19TSHRMEN1
SCHEMBL18653081 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL19506816 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL14773209 0.76 CYP3A4 (0.61) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL4874914 0.76 CYP3A4 (0.61) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL27605579 0.74 CYP3A4 (0.55) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL14269708 0.72 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL4875344 0.72 CYP3A4 (0.57) ALDH1A1CYP3A4CYP2C19TSHRHIF1A
SCHEMBL8919299 0.70 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRHIF1A

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-7335781-B2 Aminothiol compound HUEY JIIN CO., LTD. (TW) 2008-02-26 US disclosed
US-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries HUEY JIIN CO., LTD. (TW) 2004-09-16 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-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries ALDH7A1, ALDH3A1, ALDH1A1 ALDH1A1 3/4885CYP3A4 402/4885CYP2C19 1121/4885

“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.