SCHEMBL22367403

SCHEMBL22367403

CS(=O)(=O)OCCOCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
MMP9 P14780 1/20 0.46
SLC22A6 Q4U2R8 2/20 0.37
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 6/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34

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
SCHEMBL28513153 1.00 TSHR (0.46) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL21751759 0.88 LMNA (0.44) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL20139585 0.88 LMNA (0.44) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL21751837 0.88 LMNA (0.44) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL20541242 0.88 LMNA (0.44) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL4745492 0.88 TSHR (0.61) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL18095432 0.87 TSHR (0.56) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL7274701 0.82 TSHR (0.65) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL17744972 0.81 TSHR (0.62) TSHRALDH1A1LMNAALOX15KDM4E
SCHEMBL29211769 0.81 TSHR (0.60) TSHRALDH1A1LMNASLC22A6NFKB1

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-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 US disclosed
EP-3700901-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2020-09-02 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 (2 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-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF VHL, MDM2, CUL2 TSHR 4202/4885ALDH1A1 2419/4885LMNA 2919/4885
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof VHL, MDM2, CUL2 TSHR 4202/4885ALDH1A1 2419/4885LMNA 2919/4885

“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.