SCHEMBL14520042

SCHEMBL14520042

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL14520037 0.81 KMT2A (0.57) SMN1; SMN2L3MBTL1ALDH1A1GAAPOLB
SCHEMBL14519874 0.81 L3MBTL1 (0.60) NPSR1SMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL16316790 0.80 SMN1; SMN2 (0.65) MAOBSMN1; SMN2PKMBACE1L3MBTL1
SCHEMBL14519921 0.79 SMN1; SMN2 (0.56) SMN1; SMN2PKMALDH1A1WDR5GAA
SCHEMBL14519923 0.79 ALDH1A1 (0.55) NPSR1SMN1; SMN2L3MBTL1ALDH1A1WDR5
SCHEMBL13100208 0.79 TRPV4 (0.51) MAOBSMN1; SMN2PKMBACE1L3MBTL1
SCHEMBL28868246 0.79 LMNA (0.47) MAOBSMN1; SMN2PKMBACE1L3MBTL1
SCHEMBL10959144 0.78 ALDH1A1 (0.54) NPSR1SMN1; SMN2L3MBTL1ALDH1A1WDR5
SCHEMBL11140481 0.77 MAOB (0.46) MAOBSMN1; SMN2PKMBACE1L3MBTL1
SCHEMBL13588814 0.74 HTR6 (0.56) PKML3MBTL1ALDH1A1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAOB 3149/4885NPSR1 3274/4885SMN1; SMN2 2049/4885

“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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