SCHEMBL18763536

SCHEMBL18763536

O=[C]CCSSc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DDAH1 O94760 1/20 0.38
NOS1 P29475 1/20 0.38
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 1/20 0.31

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
SCHEMBL31121202 0.74 MEN1 (0.54) MEN1KMT2ADDAH1NOS1CYP1A2
SCHEMBL10883178 0.74 MEN1 (0.54) MEN1KMT2ADDAH1NOS1CYP1A2
SCHEMBL27013269 0.73 KMT2A (0.48) MEN1KMT2ADDAH1NOS1CYP1A2
Hydrochloric Acid SCHEMBL10608206 0.69 MEN1 (0.43) MEN1KMT2ADDAH1NOS1CYP1A2
SCHEMBL349833 0.69 EHMT2 (0.53) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL191955 0.68 MEN1 (1.00) MEN1KMT2ADDAH1NOS1CYP1A2
SCHEMBL12905708 0.67 MTNR1A (0.49) MEN1KMT2AALDH1A1
SCHEMBL5566559 0.67 MEN1 (0.44) MEN1KMT2ADDAH1NOS1CYP1A2
SCHEMBL27726353 0.67 MEN1 (0.50) MEN1KMT2ADDAH1NOS1CYP1A2
SCHEMBL1014295 0.65 TSHR (0.30)

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-20220202994-A1 BIOTIN-AVIDIN CONTROLLED DELIVERY SYSTEMS DREXEL UNIVERSITY 2022-06-30 US disclosed
US-20170112971-A1 BIOTIN-AVIDIN CONTROLLED DELIVERY SYSTEMS DREXEL UNIVERSITY (US) 2017-04-27 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-20170112971-A1 BIOTIN-AVIDIN CONTROLLED DELIVERY SYSTEMS BTD, HLCS, HMGB1 MEN1 4056/4885KMT2A 4707/4885DDAH1 4045/4885

“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.