SCHEMBL10097

SCHEMBL10097

CCC(C[C@](C)(C(=O)O)S(C)(=O)=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
CYP2C9 P11712 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC6A2 P23975 2/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL16136707 0.85 FPR2 (0.39) CYP2C9HSD17B10SLC6A2MMP12MMP13
SCHEMBL5511 0.80 CASP1 (0.32) SLC6A2MMP12MMP13
SCHEMBL14996179 0.77 ESR1 (0.50) ESR1ESR2CYP2C9HSD17B10SLC6A2
SCHEMBL5807 0.76 F2 (0.40) ESR2
SCHEMBL27665369 0.75 BLM (0.53) ESR1ESR2CYP2C9HSD17B10SLC6A2
SCHEMBL11889 0.74 POLB (0.41) MAPT
SCHEMBL12835878 0.71 ESR1 (0.58) ESR1ESR2CYP2C9SLC6A2LMNA
SCHEMBL14411084 0.71 ESR1 (0.58) ESR1ESR2CYP2C9SLC6A2LMNA
SCHEMBL15957862 0.70 HDAC8 (0.44) ESR1ESR2CYP2C9HSD17B10CYP2D6
SCHEMBL17403406 0.69 ESR1 (0.47) ESR1ESR2CYP2C9HSD17B10SLC6A2

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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A ESR1 3962/4885ESR2 4422/4885CYP2C9 2915/4885

“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.