SCHEMBL20180980

SCHEMBL20180980

C[C@H](N)C(=O)OC1CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
APLNR P35414 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC22A2 O15244 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30
GAA P10253 1/20 0.30

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
Hydrochloric Acid SCHEMBL28986529 0.98 LMNA (0.39) LMNANR1I2ABCB11APLNRALDH1A1
SCHEMBL26822918 0.83 LMNA (0.42) LMNANR1I2ABCB11APLNRALDH1A1
SCHEMBL26276902 0.83 CYP19A1 (0.33) LMNANR1I2ABCB11
SCHEMBL26277020 0.81 LMNA (0.36) LMNANR1I2ABCB11CYP1A2CYP2C9
SCHEMBL24148930 0.79
SCHEMBL154764 0.79
SCHEMBL19706447 0.79
SCHEMBL14095422 0.79 CYP19A1 (0.39) LMNACYP1A2CYP2C9MEN1KMT2A
Hydrochloric Acid SCHEMBL31087895 0.78 EPHX1 (0.31)
Hydrochloric Acid SCHEMBL30269843 0.78 EPHX1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996928-A 1' -cyanonucleoside analogs and uses thereof 吉利德科学公司 2023-04-21 CN disclosed
US-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2023-02-09 US disclosed
US-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20230021500-A1 CYSTEINE ENGINEERED ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS MERSANA THERAPEUTICS, INC. 2023-01-26 US disclosed
WO-2021262826-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-12-30 WO disclosed
US-11135307-B2 Peptide-containing linkers for antibody-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2018-06-07 US disclosed
US-20180140716-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2018-05-24 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 (6 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-11135307-B2 Peptide-containing linkers for antibody-drug conjugates CD2BP2, DNPEP, LNPEP LMNA 3510/4885NR1I2 4661/4885ABCB11 2992/4885
US-20180140716-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, STAMBP, TSPO LMNA 2414/4885NR1I2 1516/4885ABCB11 2356/4885
US-20230021500-A1 CYSTEINE ENGINEERED ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS LNPEP, DNPEP, QPCT LMNA 4844/4885NR1I2 4802/4885ABCB11 2504/4885
US-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP LMNA 3510/4885NR1I2 4661/4885ABCB11 2992/4885
US-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF TYMP, PNP, DUT LMNA 437/4885NR1I2 4423/4885ABCB11 1776/4885
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP LMNA 3510/4885NR1I2 4661/4885ABCB11 2992/4885

“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.