SCHEMBL17010895

SCHEMBL17010895

CNCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ USP2 O75604 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ TBXA2R P21731 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ PTGS2 P35354 6/20 0.60
▸ PTGS1 P23219 2/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ UGT1A9 O60656 1/20 0.60
▸ TRPA1 O75762 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ MT-CO2 P00403 1/20 0.60
▸ ALB P02768 1/20 0.60
▸ CXCL8 P10145 1/20 0.60
▸ UGT1A6 P19224 1/20 0.60
▸ UGT1A1 P22309 1/20 0.60
▸ CXCR1 P25024 1/20 0.60
▸ ADRA1A P35348 1/20 0.60

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
SCHEMBL25720672 0.89 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL25718991 0.88 TTR (0.68) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6431084 0.88 TTR (0.71) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL10844751 0.86 TTR (0.70) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13299162 0.86 TTR (0.73) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL23158669 0.86 TTR (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL26655544 0.86 TTR (0.80) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109329 0.85 TTR (0.68) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL17001514 0.85 TTR (0.71) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13922743 0.85 TTR (0.74) TTRCYP2C9USP2LMNATBXA2R

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
US-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-06-22 — — US disclosed
WO-2021060351-A1 NSAID-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2021-04-01 — — WO disclosed
WO-2019182015-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND 持田製薬株式会社 2019-09-26 — — WO disclosed
US-9403793-B2 Compositions and methods for the treatment of moderate to severe pain CELLIX BIO PRIVATE LIMITED (IN) 2016-08-02 — — US disclosed
US-20150353522-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN CELLIX BIO PRIVATE LIMITED (IN) 2015-12-10 — — US disclosed
US-9108942-B1 Compositions and methods for the treatment of moderate to severe pain KANDULA MAHESH (IN) 2015-08-18 — — 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 (2 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-20150353522-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN TNNC1, GYS1, SCN3A TTR 244/4885CYP2C9 280/4885USP2 4560/4885
US-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND ALG1, ALG8, ALG3 TTR 4779/4885CYP2C9 3313/4885USP2 4101/4885

“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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