SCHEMBL22441265

SCHEMBL22441265

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.52
EPHX2 P34913 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
LPAR3 Q9UBY5 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL22441262 1.00 CTSK (0.52) CTSKEPHX2TAS1R3TAS1R1KDM4E
SCHEMBL29368864 0.88 TAS1R3 (0.61) CTSKEPHX2TAS1R3TAS1R1MEN1
SCHEMBL22441253 0.85 TAS1R3 (0.52) CTSKTAS1R3TAS1R1MEN1ALDH1A1
SCHEMBL22441250 0.85 TAS1R3 (0.52) CTSKTAS1R3TAS1R1MEN1ALDH1A1
SCHEMBL30760647 0.85 CTSK (0.60) CTSKEPHX2TAS1R3TAS1R1LPAR3
SCHEMBL28678349 0.85 CTSK (0.60) CTSKEPHX2TAS1R3TAS1R1LPAR3
SCHEMBL22457812 0.85 CTSK (0.60) CTSKEPHX2TAS1R3TAS1R1LPAR3
SCHEMBL22441350 0.83 CTSK (0.43) CTSKEPHX2TAS1R3TAS1R1KDM4E
SCHEMBL22441353 0.83 CTSK (0.43) CTSKEPHX2TAS1R3TAS1R1KDM4E
SCHEMBL22441334 0.83 TAS1R3 (0.55) CTSKEPHX2TAS1R3TAS1R1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092739-A1 COMPOUNDS AND METHODS OF USE VENTHERA, INC. 2024-03-21 US 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 (4 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 820/4885EPHX2 1687/4885TAS1R3 3730/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 CTSK 820/4885EPHX2 1687/4885TAS1R3 3730/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 CTSK 820/4885EPHX2 1687/4885TAS1R3 3730/4885
US-20240092739-A1 COMPOUNDS AND METHODS OF USE AIFM2, SLC40A1, GPX4 CTSK 632/4885EPHX2 2435/4885TAS1R3 2585/4885

“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.