SCHEMBL22200061

SCHEMBL22200061

CC1=NC(S)N(c2ccccc2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.35
▸ LOXL3 P58215 1/20 0.35
▸ LOXL4 Q96JB6 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP2C19 P33261 3/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL8744607 0.57 GSK3A (0.31) —
SCHEMBL15250844 0.55 SMN1; SMN2 (0.40) ALDH1A1CYP1A2CYP3A4MAPTKDM4E
SCHEMBL8349801 0.55 CYP1A2 (0.42) LOXLOXL3LOXL4LOXL2CYP1A2
SCHEMBL18911790 0.53 SIGMAR1 (0.37) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL18911716 0.53 ALDH1A1 (0.35) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL20621571 0.53 KDM4E (0.33) ALDH1A1CYP1A2ALOX15HSD17B10CYP3A4
SCHEMBL416916 0.53 KDM4E (0.61) ALDH1A1CYP1A2HSD17B10MAPTKDM4E
SCHEMBL3421771 0.53 AVPR1A (0.67) ALDH1A1ALOX15HSD17B10KDM4EHPGD
SCHEMBL21373978 0.52 MAPK1 (0.55) ALDH1A1CYP1A2ALOX15HSD17B10MEN1
SCHEMBL6403525 0.52 BPTF (0.54) ALOX15HSD17B10CYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216449-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof Tang, YaJie (CN) 2020-07-09 — — 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-20200216449-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof TPMT, WEE1, DHFR LOX 1849/4885LOXL3 2727/4885LOXL4 348/4885

“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.

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