SCHEMBL20125696

SCHEMBL20125696

CCCCCCCSSCC(N)C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
CA2 P00918 1/20 0.35
TSHR P16473 2/20 0.34
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH4 P08319 2/20 0.32
ADH7 P40394 2/20 0.32
CES2 O00748 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LAP3 P28838 1/20 0.32

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
SCHEMBL21067332 0.84 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL20125698 0.82 CYP3A4 (0.31) TSHRGMNNMAPTSMN1; SMN2
SCHEMBL7372332 0.81 CA2 (0.41) EPHX1CA2TSHRCES2CTSL
SCHEMBL22679726 0.77 EPHX1 (0.34) EPHX1CA2TSHRADH1BADH1C
SCHEMBL5137869 0.77 CYP3A4 (0.32) TSHRGMNNMAPTSMN1; SMN2
SCHEMBL22757647 0.75 SPHK1 (0.41) EPHX1CA2TSHRCES2GMNN
SCHEMBL30572188 0.73 GRIK1 (0.49) EPHX1GMNNTP53POLBMAPT
SCHEMBL26391603 0.73 GRIK1 (0.49) EPHX1GMNNTP53POLBMAPT
SCHEMBL20634256 0.72 TSHR (0.57) CA2TSHRCES2CTSLCTSB
SCHEMBL867481 0.72 TSHR (0.57) CA2TSHRCES2CTSLCTSB

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-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES UNIVERSITE GRENOBLE ALPES (FR) 2018-05-10 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-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES DHPS, DPYD, DHODH EPHX1 666/4885CA2 4362/4885TSHR 4819/4885

“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.