SCHEMBL10880591

SCHEMBL10880591

COc1ccc(C(C)C)cc1S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TRIM24 O15164 1/20 0.47
▸ HDAC4 P56524 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CASR P41180 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ ERN1 O75460 1/20 0.42

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
SCHEMBL16308958 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL11151390 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL10960621 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL10642055 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL31411917 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL10641518 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL24699276 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL10809183 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL13486527 0.79 NPSR1 (0.65) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL4539163 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 — — US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 — — US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 — — US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 — — US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — US disclosed
EP-0088345-B1 2-AMINOMETHYL-6-SULFAMOYLPHENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 — — EP 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-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ALDH1A1 4407/4885SMN1; SMN2 4172/4885POLB 3147/4885

“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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