SCHEMBL20162075

SCHEMBL20162075

C[C@@H](O)[C@@H](CO)N(CC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
GPR3 P46089 1/20 0.33
HTR2A P28223 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL18040194 0.84 CYP1A2 (0.33) CYP1A2TSHRCA1CA2FABP7
SCHEMBL16933080 0.78 CYP1A2 (0.37) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL1198343 0.78 CYP1A2 (0.37) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525152 0.78 CYP1A2 (0.37) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL17505605 0.76 HTR2A (0.37) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL17505607 0.76 HTR2A (0.37) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL20538932 0.74 ALOX5 (0.40) CYP1A2TSHRKMT2AGAAMEN1
SCHEMBL18740261 0.74 ALOX5 (0.40) CYP1A2TSHRKMT2AGAAMEN1
SCHEMBL20971992 0.73 CYP1A2 (0.35) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL20971990 0.73 CYP1A2 (0.35) CYP1A2TSHRKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193471-A1 ß2GPI GENE EXPRESSION-SUPPRESSING NUCLEIC ACID CONJUGATE KYOWA HAKKO KIRIN CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323893-A1 BETA2GPI GENE EXPRESSION INHIBITING NUCLEIC ACID COMPLEX Kyowa Hakko Kirin Co., Ltd. (JP) 2018-05-23 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-20180193471-A1 ß2GPI GENE EXPRESSION-SUPPRESSING NUCLEIC ACID CONJUGATE GALNT2, ST6GAL1, SLC17A5 CYP1A2 2905/4885TSHR 581/4885KMT2A 2553/4885

“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.