SCHEMBL25564790

SCHEMBL25564790

C[C@@H](NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ACACB O00763 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MDM2 Q00987 1/20 0.38
SLC6A2 P23975 1/20 0.38
AVPR1A P37288 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL25658951 0.89 TAS1R3 (0.38) GAAEPHX2EPHX1TAS1R3TAS1R1
SCHEMBL3149322 0.85 TAS1R3 (0.48) GAAEPHX2EPHX1RAB9AALDH1A1
SCHEMBL15116456 0.72 CA12 (0.53) EPHX2ALDH1A1TAS1R3TAS1R1CA12
SCHEMBL25755234 0.71 CA2 (0.47) EPHX2TAS1R3TAS1R1ACACBCA12
SCHEMBL19836585 0.71 CA12 (0.56) EPHX2EPHX1ALDH1A1TAS1R3TAS1R1
SCHEMBL19652079 0.71 CA12 (0.56) EPHX2EPHX1ALDH1A1TAS1R3TAS1R1
SCHEMBL27405464 0.71 MAPT (0.52)
SCHEMBL23656871 0.68 CA12 (0.45) EPHX2EPHX1ALDH1A1HPGDTAS1R3
SCHEMBL17865784 0.68 CNR2 (0.57) RAB9AALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL26252000 0.68 EPHX2 (0.43) GAAEPHX2RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 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 (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-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA GAA 2340/4885EPHX2 1551/4885EPHX1 1682/4885

“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.