SCHEMBL9960803

SCHEMBL9960803

Cc1c(C2=CC(O)c3ccccc32)csc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9960767 0.83 GRIA4 (0.32) GPR35ALDH1A1SMN1; SMN2
SCHEMBL9960813 0.76 MYC (0.44) POLBTDP1L3MBTL1CYP1A2TSHR
SCHEMBL9960649 0.74 MYC (0.33) POLBTDP1L3MBTL1ALDH1A1HTT
SCHEMBL2457029 0.73 ALDH1A1 (0.43) POLBL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL9960870 0.73 CCNC (0.33) HTT
SCHEMBL9960704 0.73 HTT (0.33) POLBCYP1A2TSHRHTTKMT2A
SCHEMBL6277246 0.73 GPR35 (0.49) GPR35POLBTDP1L3MBTL1ALDH1A1
SCHEMBL9960677 0.70 ELANE (0.34) TDP1L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL9961012 0.70 GRIA4 (0.33) TSHRALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL27926815 0.70 ATM (0.36) EDNRBEDNRAALDH1A1KMT2A

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 20 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 claimed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US claimed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US claimed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
EP-3004036-B1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LTD (IE) 2017-11-22 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
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2016-04-21 US disclosed
EP-3004036-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF Leo Laboratories Limited (IE) 2016-04-13 EP 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
US-20150133543-A1 TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2015-05-14 US disclosed
WO-2014191457-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2014-12-04 WO disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US 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 (4 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 142/4885POLB 3773/4885TDP1 4714/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GPR35 142/4885POLB 3773/4885TDP1 4714/4885
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF CYP51A1, ERG28, UTP20 GPR35 828/4885POLB 2947/4885TDP1 4649/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GPR35 142/4885POLB 3773/4885TDP1 4714/4885

“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.