SCHEMBL16815941

SCHEMBL16815941

COc1cc(F)ccc1C[C@@H](O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ PLA2G4A P47712 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ TSPO P30536 1/20 0.38

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
SCHEMBL16815475 0.89 MEN1 (0.48) FFAR1FFAR4LDHAKMT2ASMN1; SMN2
SCHEMBL16815674 0.86 FFAR4 (0.36) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL8953486 0.83 HSD17B10 (0.50) LDHAKMT2AMEN1
SCHEMBL7504539 0.83 HSD17B10 (0.50) LDHAKMT2AMEN1
SCHEMBL7504536 0.83 HSD17B10 (0.50) LDHAKMT2AMEN1
SCHEMBL8953561 0.81 KMT2A (0.50) KMT2ASMN1; SMN2MEN1
SCHEMBL463315 0.81 KMT2A (0.50) KMT2ASMN1; SMN2MEN1
SCHEMBL16815732 0.81 KMT2A (0.50) KMT2ASMN1; SMN2MEN1
SCHEMBL7516087 0.81 KMT2A (0.50) KMT2ASMN1; SMN2MEN1
SCHEMBL8591926 0.79 KDM6B (0.42) SMN1; SMN2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 — — US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 — — US disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 — — US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 — — US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 — — EP disclosed
WO-2015097123-A1 NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-07-02 — — WO disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 — — US disclosed
EP-2886545-A1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-06-24 — — EP 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 (4 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 HDAC3 3786/4885HDAC1 3293/4885HDAC2 2914/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 HDAC3 3786/4885HDAC1 3293/4885HDAC2 2914/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 HDAC3 3786/4885HDAC1 3293/4885HDAC2 2914/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 HDAC3 3786/4885HDAC1 3293/4885HDAC2 2914/4885

“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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