SCHEMBL14697338

SCHEMBL14697338

[CH2]C(Cl)(OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.41
CES1 P23141 1/20 0.39
KCNN4 O15554 4/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CA4 P22748 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 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
SCHEMBL2154443 0.75 CES1 (0.47) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL10707751 0.75 TSHR (0.50) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL4073627 0.75 TSHR (0.50) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL10499996 0.75 TSHR (0.50) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL29254252 0.75 MAPK1 (0.44) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL6299817 0.73 MAPK1 (0.42) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL9047900 0.73 MAPK1 (0.48) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL8471164 0.73 CYP1A2 (0.45) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL11034971 0.72 MAPK1 (0.46) TSHRMAPK1CES1KCNN4ALDH1A1
SCHEMBL11637695 0.72 TSHR (0.52) TSHRMAPK1KCNN4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903990-B1 THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-06-14 EP disclosed
EP-2744812-B1 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-07-20 EP disclosed
US-9382263-B2 Therapeutically active oxazoline derivatives UCB BIOPHARMA SPRL (BE) 2016-07-05 US disclosed
US-9227984-B2 Therapeutically active fused pyrimidine derivatives UCB PHARMA S.A. (BE) 2016-01-05 US disclosed
US-20150274748-A1 Therapeutically Active Oxazoline Derivatives UCB BIOPHARMA SPRL (BE) 2015-10-01 US disclosed
EP-2903990-A1 THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-08-12 EP disclosed
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-10-16 US disclosed
EP-2744812-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-06-25 EP disclosed
WO-2014053581-A1 THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-04-10 WO disclosed
WO-2013024291-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-02-21 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 (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-20150274748-A1 Therapeutically Active Oxazoline Derivatives ICOS, HAVCR2, CD74 TSHR 2959/4885MAPK1 1099/4885CES1 2275/4885
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives HAVCR2, TPMT, PAICS TSHR 3199/4885MAPK1 2657/4885CES1 2632/4885

“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.