SCHEMBL21027403

SCHEMBL21027403

CC(C)(C)c1cccc(Nc2c(C(=O)O)ccc(Cl)c2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.46
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
P2RX1 P51575 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
PRSS12 P56730 1/20 0.44
CLCN2 P51788 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIK1 P39086 1/20 0.40
KIT P10721 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GMNN O75496 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
SCHEMBL22093062 0.80 MEN1 (0.51) AKR1C3AKR1C2CLCN2MEN1KMT2A
SCHEMBL31145465 0.80 MEN1 (0.51) AKR1C3AKR1C2CLCN2MEN1KMT2A
SCHEMBL21027986 0.80 AKR1C3 (0.43) AKR1C3AKR1C2CLCN2MEN1KMT2A
SCHEMBL30059145 0.74 FABP4 (0.59) MPOAKR1C3AKR1C2GRIK1PTGS1
SCHEMBL28418888 0.74 FABP4 (0.59) MPOAKR1C3AKR1C2GRIK1PTGS1
SCHEMBL11541557 0.74 MPO (0.63) MPOAKR1C3AKR1C2MEN1KMT2A
SCHEMBL7568727 0.70 AKR1C3 (0.54) AKR1C3AKR1C2MEN1KMT2APPARG
SCHEMBL26895179 0.70 RAPGEF4 (0.46) P2RX1KCNJ6KCNJ5KCNJ3HDAC3
SCHEMBL21625856 0.70 KIF11 (0.54) P2RX1KCNJ6KCNJ5KCNJ3HDAC3
SCHEMBL29514710 0.70 KIF11 (0.54) P2RX1KCNJ6KCNJ5KCNJ3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. 2021-01-07 US disclosed
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use SILICON SWAT, INC. (US) 2020-08-18 US disclosed
US-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. 2019-05-30 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-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS MPO 1362/4885AKR1C3 2303/4885AKR1C2 2361/4885
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS MPO 1362/4885AKR1C3 2303/4885AKR1C2 2361/4885
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use STING1, IRF3, CGAS MPO 1362/4885AKR1C3 2303/4885AKR1C2 2361/4885

“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.