SCHEMBL586071

SCHEMBL586071

O=S(=O)(NC(CF)CF)c1cnc(Cl)nc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL579067 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL578990 0.79 SLC1A3 (0.31)
SCHEMBL586461 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL26671802 0.71 ALDH1A1 (0.58) ALDH1A1KMT2A
SCHEMBL8510601 0.71 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL8230286 0.70 CA1 (0.52) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL20753526 0.70 CA12 (0.52) ALDH1A1GAA
SCHEMBL26671799 0.69 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATP53GAA
SCHEMBL26671804 0.68 GBA1 (0.56) ALDH1A1MEN1KMT2APKM
SCHEMBL26671832 0.67 CA1 (0.50) ALDH1A1MEN1KMT2ATP53GAA

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-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 3538/4885MEN1 4798/4885KMT2A 2687/4885

“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.