SCHEMBL22441355

SCHEMBL22441355

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.91
NPC1 O15118 7/20 0.91
CASP1 P29466 1/20 0.91
TSHR P16473 2/20 0.70
SMN1; SMN2 Q16637 7/20 0.68
HPGD P15428 6/20 0.61
RECQL P46063 1/20 0.61
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 5/20 0.59
MAPK1 P28482 2/20 0.59
MCL1 Q07820 1/20 0.59
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL14155719 0.89 RAB9A (0.83) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL6238438 0.89 NPC1 (0.78) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL10943133 0.88 RAB9A (0.86) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL12411578 0.88 RAB9A (0.69) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL22441244 0.87 RAB9A (0.69) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL28735058 0.85 NPC1 (0.68) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL13412591 0.84 NPC1 (0.71) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL13227995 0.84 NPC1 (0.71) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL7564852 0.84 RAB9A (0.79) RAB9ANPC1CASP1TSHRSMN1; SMN2
SCHEMBL16374712 0.84 NPC1 (0.69) RAB9ANPC1CASP1TSHRSMN1; SMN2

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 9 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-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 363/4885CASP1 119/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 RAB9A 2446/4885NPC1 363/4885CASP1 119/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 RAB9A 2446/4885NPC1 363/4885CASP1 119/4885

“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.