SCHEMBL22441276

SCHEMBL22441276

CCCCC(Cc1cccc(OC)c1)NC(=O)c1ccnn1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
CTSK P43235 1/20 0.43
LPAR3 Q9UBY5 1/20 0.42
EPHX2 P34913 2/20 0.41
MME P08473 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL22441274 1.00 TAS1R3 (0.46) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441316 0.80 TP53 (0.53) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441315 0.80 TP53 (0.53) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL29368864 0.80 TAS1R3 (0.61) TAS1R3TAS1R1CTSKEPHX2MMP13
SCHEMBL29368182 0.80 GRM4 (0.53) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441388 0.80 GRM4 (0.53) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441390 0.80 GRM4 (0.53) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441265 0.80 CTSK (0.52) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441262 0.80 CTSK (0.52) TAS1R3TAS1R1CTSKLPAR3EPHX2
SCHEMBL22441336 0.78 TAS1R3 (0.54) TAS1R3TAS1R1CTSKLPAR3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3931183-B1 COMPOUNDS WITH FERROPTOSIS INDUCING ACTIVITY AND METHODS OF THEIR USE FERRO THERAPEUTICS INC (US) 2025-02-12 EP disclosed
CN-114008024-A Compounds having iron death inducing activity and methods of using the same 费罗治疗公司 2022-02-01 CN disclosed
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 TAS1R3 3730/4885TAS1R1 3650/4885CTSK 820/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 TAS1R3 3730/4885TAS1R1 3650/4885CTSK 820/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 TAS1R3 3730/4885TAS1R1 3650/4885CTSK 820/4885

“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.