SCHEMBL9960479

SCHEMBL9960479

Cc1sc(C2=CC(O)c3ccccc32)nc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.40
PTGER1 P34995 1/20 0.36
HTR2C P28335 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
HTR2B P41595 1/20 0.34
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PIN1 Q13526 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 2/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
NLRP1 Q9C000 1/20 0.30
PDE4B Q07343 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
SCHEMBL6505414 0.75 HPGD (0.47) PTGER1HTR2CRARARARBRARG
SCHEMBL12209850 0.74 NPC1 (0.45) PTGER1HTR2CRARARARBRARG
SCHEMBL3995172 0.73 RARA (0.60) PTGER1RARARARBRARGSMN1; SMN2
SCHEMBL6503752 0.72 HTR2C (0.50) PTGER1HTR2CRARARARBRARG
SCHEMBL6496262 0.70 PTGDR2 (0.49) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL9961029 0.69 MEN1 (0.36) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL9960813 0.69 MYC (0.44) PTGER1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL9961012 0.68 GRIA4 (0.33) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL9960803 0.68 GPR35 (0.34) SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2457029 0.68 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E

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 16 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
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-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
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 (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 RBP4 783/4885PTGER1 551/4885HTR2C 4541/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG RBP4 783/4885PTGER1 551/4885HTR2C 4541/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG RBP4 783/4885PTGER1 551/4885HTR2C 4541/4885

“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.