SCHEMBL22441353

SCHEMBL22441353

CCCCC(Cc1cccc(OC)c1)NC(=O)C12CC(NC(=O)O)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
LPAR3 Q9UBY5 3/20 0.41
EPHX2 P34913 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LPAR1 Q92633 2/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL22441350 1.00 CTSK (0.43) CTSKLPAR3EPHX2TAS1R3TAS1R1
SCHEMBL31382758 0.88 CTSK (0.48) CTSKLPAR3EPHX2TAS1R3TAS1R1
SCHEMBL29365641 0.88 CTSK (0.48) CTSKLPAR3EPHX2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL22441261 0.87 CTSK (0.45) CTSKLPAR3EPHX2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL29366291 0.87 CTSK (0.45) CTSKLPAR3EPHX2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL22441259 0.87 CTSK (0.45) CTSKLPAR3EPHX2TAS1R3TAS1R1
SCHEMBL27175230 0.87 CTSK (0.45) CTSKLPAR3EPHX2TAS1R3TAS1R1
SCHEMBL27175226 0.87 CTSK (0.45) CTSKLPAR3EPHX2TAS1R3TAS1R1
SCHEMBL29369889 0.87 ROCK2 (0.43) CTSKLPAR3TAS1R3TAS1R1
SCHEMBL22441230 0.87 ROCK2 (0.43) CTSKLPAR3TAS1R3TAS1R1

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-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 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-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 CTSK 820/4885LPAR3 1473/4885EPHX2 1687/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 CTSK 820/4885LPAR3 1473/4885EPHX2 1687/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 CTSK 820/4885LPAR3 1473/4885EPHX2 1687/4885

“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.