SCHEMBL22441244

SCHEMBL22441244

CCCCCOC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.69
NPC1 O15118 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
CASP1 P29466 1/20 0.69
TSHR P16473 2/20 0.64
CSNK2A2 P19784 3/20 0.62
CSNK2A1 P68400 3/20 0.62
HPGD P15428 5/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MCL1 Q07820 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TP53 P04637 2/20 0.56
PLA2G4B P0C869 1/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL28735058 0.98 NPC1 (0.68) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL7209064 0.95 RAB9A (0.76) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL12411578 0.89 RAB9A (0.69) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL22441355 0.87 RAB9A (0.91) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL8600999 0.86 RAB9A (0.67) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL7564852 0.85 RAB9A (0.79) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL8076542 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL21059194 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL7995030 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL10599124 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2CASP1TSHR

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-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
EP-3931183-A1 COMPOUNDS WITH FERROPTOSIS INDUCING ACTIVITY AND METHODS OF THEIR USE Ferro Therapeutics, Inc. (US) 2022-01-05 EP disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 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
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 RAB9A 2446/4885NPC1 363/4885SMN1; SMN2 2416/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 RAB9A 2446/4885NPC1 363/4885SMN1; SMN2 2416/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 RAB9A 2446/4885NPC1 363/4885SMN1; SMN2 2416/4885

“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.