SCHEMBL9519626

SCHEMBL9519626

Cc1[nH]c(=O)sc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.37
HPGD P15428 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MC4R P32245 1/20 0.35
BCAT2 O15382 2/20 0.35
PKM P14618 2/20 0.33
NOTUM Q6P988 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DAO P14920 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 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
SCHEMBL5151406 0.76 MC4R (0.59) GPR35HPGDALDH1A1TSHRKDM4E
SCHEMBL10612300 0.74 MC4R (0.38) HPGDALDH1A1TSHRKDM4EGAA
SCHEMBL11400844 0.72 ALDH1A1 (0.46) HPGDALDH1A1TSHRKDM4EHSD17B10
SCHEMBL2084813 0.70 POLB (0.49) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10473641 0.69 NPC1 (0.44) ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL1928130 0.68 GPR35 (0.36) GPR35NOTUMDAO
SCHEMBL15897575 0.67
Hydrochloric Acid SCHEMBL5123595 0.67 NOTUM (0.37) GPR35NOTUMDAO
SCHEMBL2808132 0.64 GPR35 (0.52) GPR35HPGDALDH1A1TSHRKDM4E
SCHEMBL11802081 0.64 NOTUM (0.43) HPGDALDH1A1TSHRKDM4EGAA

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 17 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-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN 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
EP-2858629-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE Leo Laboratories Limited (IE) 2015-04-15 EP disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
WO-2013182688-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2013-12-12 WO 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
US-20130102624-A1 EARLY DETECTION OF THIAMINE DEFICIENCY SCHLOSS JOHN V (US) 2013-04-25 US disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
EP-0300898-B1 PYRETHRINOID DERIVATIVES CONTAINING AN N-HETEROCYCLE, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
US-3932436-A 2-Thiazolone-5-carboxylic acid ester fungicidal agents BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (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 GPR35 142/4885HPGD 1697/4885ALDH1A1 2810/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GPR35 142/4885HPGD 1697/4885ALDH1A1 2810/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GPR35 142/4885HPGD 1697/4885ALDH1A1 2810/4885

“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.