SCHEMBL23709381

SCHEMBL23709381

CCCN1C(=O)OC(C(=O)O)c2cc(NS(=O)(=O)Cc3c(F)c(F)c(C)c(F)c3F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXRA P19793 2/20 0.31
BRD4 O60885 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
SCHEMBL23709380 0.88 ITGB3 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20616482 0.87 NR3C2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23709382 0.86 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20616497 0.86 BRD4 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20616505 0.85 BRD4 (0.32) ALDH1A1BRD4
SCHEMBL20616521 0.85 BRD4 (0.31) BRD4
SCHEMBL20616493 0.85 RPS6KA6 (0.33) BRD4
SCHEMBL23709378 0.84 PGR (0.31) BRD4
SCHEMBL23709379 0.84 PGR (0.34) BRD4
SCHEMBL20616498 0.84 BRD4 (0.30) BRD4

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
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2021-08-03 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-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 ALDH1A1 3795/4885CYP1A2 3756/4885CYP3A4 4687/4885

“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.