SCHEMBL14519844

SCHEMBL14519844

Cc1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)C(=O)C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.68
▸ PLAU P00749 1/20 0.61
▸ HPN P05981 1/20 0.61
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MMP9 P14780 5/20 0.52
▸ POLB P06746 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MMP2 P08253 6/20 0.49
▸ MMP3 P08254 2/20 0.49
▸ MMP13 P45452 2/20 0.49
▸ MMP7 P09237 2/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.49
▸ CTSL P07711 1/20 0.48

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
SCHEMBL14544528 0.87 ALDH1A1 (0.67) ALDH1A1PLAUHPNCYP1A2CYP2C9
SCHEMBL15213296 0.87 MMP9 (0.63) ALDH1A1MMP9POLBTDP1GAA
SCHEMBL14519991 0.87 MMP9 (0.63) ALDH1A1MMP9POLBTDP1GAA
SCHEMBL28579685 0.79 ALDH1A1 (0.57) ALDH1A1PLAUHPNCYP1A2CYP2C9
SCHEMBL28615849 0.79 ALDH1A1 (0.75) ALDH1A1PLAUHPNCYP1A2CYP2C9
SCHEMBL8146180 0.78 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C9CYP2C19MMP9
SCHEMBL8146178 0.78 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C9CYP2C19MMP9
SCHEMBL8707457 0.78 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C9CYP2C19MMP9
SCHEMBL18649638 0.78 MMP2 (0.75) ALDH1A1MMP9POLBMMP2MMP3
SCHEMBL697476 0.78 MMP2 (0.79) ALDH1A1MMP9POLBTDP1MMP2

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 ALDH1A1 1079/4885PLAU 2990/4885HPN 4157/4885

“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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