SCHEMBL12570472

SCHEMBL12570472

CC(C)C(C)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.50
▸ MMP2 P08253 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MMP7 P09237 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ MMP8 P22894 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ PTGS2 P35354 12/20 0.44
▸ PTGS1 P23219 5/20 0.44
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL18401397 0.80 CA1 (0.49) MMP1MMP2MMP3MMP7MMP9
SCHEMBL1368959 0.77 CA1 (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13367643 0.75 GAA (0.52) MMP1MMP2MMP3MMP7MMP9
SCHEMBL15478776 0.75 GAA (0.52) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2174854 0.74 CA1 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL16623120 0.73 HTR6 (0.46) MMP1MMP2MMP9MMP13MMP8
SCHEMBL6470141 0.73 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL11764655 0.73 CA1 (0.45) MMP1MMP2MMP9MMP13MMP8
SCHEMBL7395459 0.73 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL10060466 0.72 CA12 (0.46) MMP1MMP2MMP3MMP7MMP9

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-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 — — 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-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MMP1 3688/4885MMP2 3149/4885MMP3 2846/4885

“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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