SCHEMBL18845166

SCHEMBL18845166

COc1cccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2cccc(OC)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.82
HPGD P15428 1/20 0.77
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
GAA P10253 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.64
NLRP3 Q96P20 1/20 0.63
RXFP1 Q9HBX9 1/20 0.61
KCNK3 O14649 1/20 0.61
KCNK9 Q9NPC2 1/20 0.61
ALDH1A1 P00352 2/20 0.59
PKM P14618 1/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 1/20 0.59
TRPV1 Q8NER1 1/20 0.58
GRM4 Q14833 1/20 0.58

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
SCHEMBL4436642 0.83 KCNK3 (0.77) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL3209880 0.83 KDM4E (0.73) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL28498495 0.82 RAB9A (0.71) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL27941961 0.82 RAB9A (0.71) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL11590385 0.82 KMT2A (0.83) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL9208778 0.82 NPC1 (0.71) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL30726106 0.82 NPC1 (0.71) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL1499642 0.82 RAB9A (1.00) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL30758588 0.82 RAB9A (1.00) KMT2AHPGDNPC1RAB9AGAA
SCHEMBL8855649 0.81 KMT2A (0.68) KMT2ANPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142801-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-05-16 US disclosed
US-10172829-B2 Use of small molecules for the treatment of clostridium difficile toxicity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-01-08 US disclosed
US-20170128420-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-05-11 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 (3 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-10172829-B2 Use of small molecules for the treatment of clostridium difficile toxicity SLC10A2, TCERG1, SBDS KMT2A 1871/4885HPGD 1955/4885NPC1 1532/4885
US-20190142801-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY SLC10A2, TCERG1, SBDS KMT2A 1871/4885HPGD 1955/4885NPC1 1532/4885
US-20170128420-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY SLC10A2, TCERG1, SBDS KMT2A 1871/4885HPGD 1955/4885NPC1 1532/4885

“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.