SCHEMBL1508423

SCHEMBL1508423

O=C1COc2c1cccc2C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PSMB5 P28074 1/20 0.43
CES1 P23141 1/20 0.41
AR P10275 2/20 0.40
NOTUM Q6P988 3/20 0.37
PSMB8 P28062 1/20 0.37
GALR1 P47211 1/20 0.36
MAP3K5 Q99683 1/20 0.35
METAP1 P53582 1/20 0.35
TNF P01375 1/20 0.35
IL6 P05231 1/20 0.35
C1R P00736 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2315421 0.83 ALDH1A1 (0.40) PARP1CES1NOTUMPSMB8MAP3K5
SCHEMBL18331030 0.76 PARP1 (0.54) PARP1PSMB5PDE3BPDE3A
SCHEMBL30779660 0.76 PARP1 (0.54) PARP1PSMB5PDE3BPDE3A
SCHEMBL1508794 0.75 PARP1 (0.46) PARP1PSMB5PDE3BPDE3A
SCHEMBL22859743 0.74 METAP1 (0.43) CES1NOTUMPSMB8GALR1METAP1
SCHEMBL5534959 0.73 PARP1 (0.56) PARP1PSMB5MEN1KMT2A
SCHEMBL30525259 0.73 MAOA (0.42) CES1ARNOTUMPSMB8GALR1
SCHEMBL2319912 0.72 KMT2A (0.41) CES1NOTUMMETAP1MEN1KMT2A
SCHEMBL5534964 0.72 PSMB5 (0.61) PARP1PSMB5ARMEN1KMT2A
SCHEMBL3976344 0.72 PARP1 (0.54) PARP1PSMB5CES1NOTUMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-3045456-B1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma AG (DE) 2017-10-25 EP disclosed
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-9481672-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-01 US disclosed
EP-3045456-A1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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 (7 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 PARP1 3945/4885PSMB5 3679/4885CES1 72/4885
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PARP1 144/4885PSMB5 3482/4885CES1 1415/4885
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PARP1 144/4885PSMB5 3482/4885CES1 1415/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP PARP1 144/4885PSMB5 3482/4885CES1 1415/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PARP1 144/4885PSMB5 3482/4885CES1 1415/4885
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PARP1 144/4885PSMB5 3482/4885CES1 1415/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PARP1 144/4885PSMB5 3482/4885CES1 1415/4885

“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.