SCHEMBL25929622

SCHEMBL25929622

CC(C)(C)OC(=O)N1C[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
NR1H2 P55055 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
HTRA1 Q92743 1/20 0.38
HPGD P15428 1/20 0.37
BTK Q06187 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL2273886 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL7531758 0.87 NR1H3 (0.41) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL21924897 0.84 NAMPT (0.43) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3442335 0.84 HSD17B10 (0.43) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL1315955 0.84 HSD17B10 (0.43) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL24645252 0.84 HSD17B10 (0.43) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL8214873 0.84 HSD17B10 (0.43) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL5200883 0.84 ATM (0.59) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL17033098 0.84 HSD17B10 (0.43) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL116439 0.84 ATM (0.59) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 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-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH HSD17B10 2518/4885SMN1; SMN2 4650/4885NR1H2 914/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH HSD17B10 1063/4885SMN1; SMN2 3485/4885NR1H2 519/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HSD17B10 1063/4885SMN1; SMN2 3485/4885NR1H2 519/4885

“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.