SCHEMBL9610079

SCHEMBL9610079

COC(=O)C(C)(C)C#Cc1ccc(N)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ CYP3A4 P08684 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ACACB O00763 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14282689 0.77 TTBK1 (0.41) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL9610092 0.76 PTPN11 (0.37) GAAALDH1A1
SCHEMBL9610113 0.76 CYP3A4 (0.41) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL9610078 0.74 CYP3A4 (0.37) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL9911389 0.72 CYP3A4 (0.33) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL14355617 0.72 MAP3K14 (0.33) PYGLCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9612065 0.72 CNR1 (0.48) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL9610093 0.71 CYP3A4 (0.33) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL14355615 0.69 CYP3A4 (0.37) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL3584989 0.69 ABL1 (0.42) GAAALDH1A1HPGDCASP1HSD17B10

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-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 — — US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 — — US disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 — — WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 — — US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 — — 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 (2 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT GAA 246/4885CYP3A4 2395/4885TSHR 2863/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E GAA 954/4885CYP3A4 673/4885TSHR 2111/4885

“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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