SCHEMBL3486385

SCHEMBL3486385

CCOC(=O)CCC(C)(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SRD5A2 P31213 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
NR4A2 P43354 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C9 P11712 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL3485782 0.87 SMN1; SMN2 (0.41) POLBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3486832 0.86 CNR1 (0.47) POLBMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3487498 0.84 SRD5A2 (0.46) POLBSRD5A2ALDH1A1MEN1CYP1A2
SCHEMBL4677396 0.83 CNR1 (0.42) POLBCYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL1809731 0.83 GRIN2D (0.49) POLBALDH1A1MEN1CYP1A2KMT2A
SCHEMBL1831814 0.83 KMT2A (0.45) POLBALDH1A1MEN1CYP1A2KMT2A
SCHEMBL5177528 0.79 SRD5A2 (0.53) POLBSRD5A2ALDH1A1MEN1CYP1A2
SCHEMBL4677964 0.78 KMT2A (0.41) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6086541 0.75 CNR1 (0.47) ALDH1A1MEN1KMT2ACNR1CNR2
Succinic Acid Diethyl Ester SCHEMBL28851670 0.75 SMN1; SMN2 (0.58) POLBALDH1A1MEN1KMT2ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技(上海)有限公司 2022-05-12 WO disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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 (1 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 POLB 4619/4885SRD5A2 1941/4885ALDH1A1 794/4885

“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.