SCHEMBL9957150

SCHEMBL9957150

COc1ccc(-c2cnn(C)c2C(=O)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
S1PR2 O95136 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT1 P42224 1/20 0.40

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
SCHEMBL9955571 0.87 SMN1; SMN2 (0.49) MAPKAPK2MEN1KMT2ASMN1; SMN2BACE1
SCHEMBL9957146 0.81 LPAR1 (0.45) KMT2ASMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9956968 0.78 PTGS2 (0.53) ITGB1ITGA4ITGB7PTGS2KDR
SCHEMBL27945135 0.76 LMNA (0.38) SMN1; SMN2LMNAITGB1ITGA4ITGB7
SCHEMBL12926053 0.74 CYP11B2 (0.58) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL22256617 0.74 KMT2A (0.49) MAPKAPK2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10955518 0.73 SLC6A3 (0.50) SMN1; SMN2LMNAKDM4EMAPTNPC1
SCHEMBL28451837 0.73 PTGS2 (0.45) MAPKAPK2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13355133 0.73 GLA (0.56) MAPKAPK2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9957742 0.70 HIF1A (0.41) KMT2ASMN1; SMN2LMNAKDM4ECYP1A2

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 8 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
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-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 MAPKAPK2 3780/4885MEN1 4175/4885KMT2A 3459/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MAPKAPK2 3780/4885MEN1 4175/4885KMT2A 3459/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MAPKAPK2 3780/4885MEN1 4175/4885KMT2A 3459/4885

“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.