SCHEMBL17311447

SCHEMBL17311447

COCCOc1cc(C(=O)OC)ccc1C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(C)=C1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KMT2A Q03164 7/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ ALOX12 P18054 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RECQL P46063 1/20 0.47
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ELANE P08246 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 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
SCHEMBL15793557 0.80 TDP1 (0.59) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793556 0.80 TDP1 (0.59) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL17343235 0.80 KMT2A (0.58) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793286 0.79 TDP1 (0.56) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793288 0.79 TDP1 (0.56) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL23720177 0.79 ELANE (0.40) HTTKMT2AALDH1A1LMNAHPGD
SCHEMBL17311384 0.79 ELANE (0.58) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL17311414 0.79 CYP1A2 (0.41) HTTKMT2AALDH1A1LMNAHPGD
SCHEMBL20101556 0.76 TDP1 (0.58) TDP1HTTL3MBTL1KMT2APOLB
SCHEMBL15793536 0.75 HTT (0.55) TDP1HTTL3MBTL1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154980-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARM SPA (IT) 2021-08-04 — — EP disclosed
EP-3154980-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARM SPA (IT) 2021-08-04 — — EP disclosed
US-9487528-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-08 — — US disclosed
US-9487528-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-08 — — US disclosed
US-9487528-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-08 — — US disclosed
WO-2015189362-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 — — WO disclosed
US-20150353561-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — US disclosed
US-20150353561-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — US disclosed
US-20150353561-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — 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-20150353561-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO TDP1 1812/4885HTT 1253/4885L3MBTL1 2696/4885

“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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