SCHEMBL17682382

SCHEMBL17682382

Cc1ncc(Cl)c(CC(=O)O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.44
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ AGBL2 Q5U5Z8 2/20 0.37
▸ PTGDR2 Q9Y5Y4 10/20 0.36
▸ GABRR1 P24046 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 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
SCHEMBL29687239 0.78 AKR1B1 (0.41) AKR1B1PTGS2PTGDR2SMN1; SMN2GAA
SCHEMBL17681854 0.78 AKR1B1 (0.41) AKR1B1PTGS2PTGDR2SMN1; SMN2GAA
SCHEMBL22870401 0.77 AKR1B1 (0.43) AKR1B1PTGS2KDM4EAGBL2PTGDR2
SCHEMBL29607174 0.77 AKR1B1 (0.43) AKR1B1PTGS2KDM4EAGBL2PTGDR2
SCHEMBL24495428 0.75 ALDH1A1 (0.41) AKR1B1PTGS2KDM4EPTGDR2SMN1; SMN2
SCHEMBL29686660 0.75 ALDH1A1 (0.41) AKR1B1PTGS2KDM4EPTGDR2SMN1; SMN2
SCHEMBL17681792 0.73 AKR1B1 (0.46) AKR1B1PTGS2KDM4EAGBL2GABRR1
SCHEMBL940253 0.72 AKR1B1 (0.59) AKR1B1KDM4EGABRR1
Hydrochloric Acid SCHEMBL7356687 0.71 AKR1B1 (0.57) AKR1B1KDM4EGABRR1
SCHEMBL18301686 0.70 AKR1B1 (0.57) AKR1B1PTGS2KDM4EPTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 — — EP disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 — — US disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 — — US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 — — US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 — — US disclosed
WO-2016055482-A1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 — — 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-20170313677-A1 Isoindoline Derivatives OPRD1, ADRA1D, DRD2 AKR1B1 975/4885PTGS2 1347/4885KDM4E 3726/4885

“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.

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