SCHEMBL13301082

SCHEMBL13301082

CC(=S)NCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CA9 Q16790 1/20 0.47
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40

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
SCHEMBL862986 0.88
SCHEMBL7783075 0.81 CA12 (0.55) EPHX1CA12CA1CA2MMP1
SCHEMBL8394060 0.78 SMN1; SMN2 (0.48) EPHX1CA12CA1CA2MMP1
SCHEMBL16935657 0.77 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL20125204 0.77 EPHX1 (0.61) EPHX1CA12CA1CA2MMP1
SCHEMBL25009603 0.77 EPHX1 (0.61) EPHX1CA12CA1CA2MMP1
SCHEMBL13076424 0.77 EPHX1 (0.52) EPHX1CA12CA1CA2MMP1
SCHEMBL14448413 0.77 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL20824919 0.77 EPHX1 (0.52) EPHX1CA12CA1CA2MMP1
SCHEMBL885336 0.77 EPHX1 (0.61) EPHX1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 US disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
WO-2010060215-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES UNIVERSITé LAVAL (CA) 2010-06-03 WO 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 (2 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-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 EPHX1 2886/4885CA12 4369/4885CA1 4216/4885
US-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 EPHX1 2865/4885CA12 3681/4885CA1 3493/4885

“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.