SCHEMBL466406

SCHEMBL466406

CCCC(C1=CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
PKM P14618 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SHBG P04278 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
NPC1 O15118 1/20 0.31
EPHX1 P07099 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28895413 0.75 CYP1A2 (0.31)
SCHEMBL466408 0.74
SCHEMBL11069075 0.73 HIF1A (0.40) HIF1ANPC1EPHX1RAB9ASMN1; SMN2
SCHEMBL16415987 0.73 CYP2D6 (0.31) RAB9A
SCHEMBL10378542 0.70 IDO1 (0.36) HIF1ARAB9ASMN1; SMN2
SCHEMBL13433662 0.70 HIF1A (0.53) HIF1ANPC1EPHX1RAB9ASMN1; SMN2
SCHEMBL16594022 0.69 PKM (0.49) PKMCTDSP1SHBGSLC6A2SLC6A4
SCHEMBL9577615 0.68 HIF1A (0.50) HIF1ANPC1EPHX1RAB9ASMN1; SMN2
SCHEMBL16191249 0.68 PKM (0.68) PKMCTDSP1SLC6A2SLC6A4SLC6A3
SCHEMBL20820795 0.68 SHBG (0.34) HIF1APKMCTDSP1SHBGSLC6A2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2021-11-04 US disclosed
US-10973913-B2 JAK inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2021-04-13 US disclosed
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-09-10 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2146968-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-27 EP disclosed
EP-2142513-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
WO-2008128983-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128981-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 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 (8 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-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 HIF1A 1563/4885PKM 3823/4885CTDSP1 4080/4885
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT HIF1A 1951/4885PKM 668/4885CTDSP1 1845/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HIF1A 1051/4885PKM 997/4885CTDSP1 1127/4885
US-10973913-B2 JAK inhibitors and uses thereof JAK2, JAK1, JAK3 HIF1A 2298/4885PKM 3501/4885CTDSP1 4387/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 HIF1A 1778/4885PKM 2593/4885CTDSP1 3338/4885
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT HIF1A 1951/4885PKM 668/4885CTDSP1 1845/4885
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN HIF1A 2159/4885PKM 691/4885CTDSP1 3987/4885
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 HIF1A 2298/4885PKM 3501/4885CTDSP1 4387/4885

“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.