SCHEMBL9960026

SCHEMBL9960026

Cc1c[nH]c(C)c1C(=O)Cl

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.65
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
MAPK1 P28482 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
SCHEMBL891077 0.79 NOTUM (0.68) NOTUMHTTLMNASMN1; SMN2MAPT
SCHEMBL1082810 0.79 NOTUM (1.00) NOTUMHTTLMNASMN1; SMN2MAPT
SCHEMBL1082611 0.77 NOTUM (0.65) NOTUMHTTLMNASMN1; SMN2MAPT
SCHEMBL25390050 0.74 NOTUM (0.61) NOTUMHTTLMNASMN1; SMN2MAPT
SCHEMBL17920352 0.74 NOTUM (0.61) NOTUMHTTLMNASMN1; SMN2MAPT
SCHEMBL29446127 0.74 NOTUM (0.61) NOTUMHTTLMNASMN1; SMN2MAPT
SCHEMBL29446128 0.74 NOTUM (0.61) NOTUMHTTSMN1; SMN2NPC1RAB9A
SCHEMBL30580727 0.74 NOTUM (0.50) NOTUM
SCHEMBL7685414 0.72 NOTUM (0.59) NOTUMHTTSMN1; SMN2MAPK1
SCHEMBL1316433 0.71 NOTUM (0.57) NOTUMLMNASMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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 (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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885HTT 4342/4885LMNA 3996/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885HTT 4342/4885LMNA 3996/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885HTT 4342/4885LMNA 3996/4885

“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.