SCHEMBL1590616

SCHEMBL1590616

CCC(C(=O)O)c1ccc(N)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 17/20 0.50
AKR1C2 P52895 17/20 0.50
AKR1C1 Q04828 2/20 0.50
PTGS1 P23219 1/20 0.50
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL30730198 0.85 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL6017403 0.85 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL14192004 0.85 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL11269951 0.83 SLC6A2 (0.41) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL9063835 0.82 AKR1C3 (0.51) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL1556908 0.82 AKR1C3 (0.51) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL1590117 0.81 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL22230559 0.81 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL10584292 0.79 CYP3A4 (0.48) PTGS1ALDH1A1POLB
SCHEMBL5099274 0.79 ALDH1A1 (0.60) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-4337264-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-29 US disclosed
US-4316850-A ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-4126691-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed
US-3997669-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-12-14 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 AKR1C3 885/4885AKR1C2 1676/4885AKR1C1 1443/4885

“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.