SCHEMBL23925613

SCHEMBL23925613

COC1(OC)CCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
TSHR P16473 3/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
CYP2C9 P11712 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL30672664 0.80 ATM (0.41) TSHRCYP1A2CYP2C19CYP2C9PPM1B
SCHEMBL17551907 0.71 SLC1A2 (0.41) SLC1A2SLC1A1TSHRCYP1A2CYP2C19
SCHEMBL3613755 0.69 USP2 (0.39) TSHRCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3147718 0.69
SCHEMBL8020908 0.67 SLC1A2 (0.37) SLC1A2SLC1A1TSHRCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL28187863 0.67 SLC1A2 (0.48) SLC1A2SLC1A1TSHRGRM2GRM3
SCHEMBL987271 0.66 ALDH1A1 (0.50) SLC1A2SLC1A1TSHRCYP1A2CYP2C19
SCHEMBL7104310 0.66 ALDH1A1 (0.50) SLC1A2SLC1A1TSHRCYP1A2CYP2C19
SCHEMBL7104313 0.66 ALDH1A1 (0.50) SLC1A2SLC1A1TSHRCYP1A2CYP2C19
SCHEMBL12494007 0.66 ALDH1A1 (0.50) SLC1A2SLC1A1TSHRCYP1A2CYP2C19

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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-01 US disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO 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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL SLC1A2 4516/4885SLC1A1 3931/4885TSHR 4585/4885

“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.