SCHEMBL20175941

SCHEMBL20175941

CCOC(=O)[C@@]1(C)CSC(c2ccc(C)cc2O)=N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL1534254 0.90 CA12 (0.42) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL20176128 0.87 KMT2A (0.40) ALDH1A1HPGDSMN1; SMN2TP53ALOX15
SCHEMBL20175923 0.84 MAPT (0.41) ALDH1A1HPGDSMN1; SMN2TP53NPC1
SCHEMBL18197344 0.83 KDM4E (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11963087 0.83 KMT2A (0.34) ALDH1A1HPGDSMN1; SMN2TP53ALOX15
SCHEMBL11963155 0.83 MEN1 (0.35) HPGDSMN1; SMN2TP53ALOX15NPC1
SCHEMBL3304049 0.82 CA12 (0.38) ALDH1A1HPGDCYP1A2SMN1; SMN2NPC1
SCHEMBL20175921 0.82 PTPN11 (0.40) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL20175912 0.82 PTPN11 (0.40) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL18197348 0.81 BRD4 (0.47)

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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 ALDH1A1 181/4885HPGD 208/4885CYP1A2 500/4885

“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.