SCHEMBL19948940

SCHEMBL19948940

N#CCOc1ccc(CBr)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH2 P05091 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.34
APP P05067 2/20 0.33
KCNH2 Q12809 1/20 0.33
SLC2A1 P11166 1/20 0.33
P2RX3 P56373 1/20 0.33
CYP1A1 P04798 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
SCHEMBL6573094 0.81 GAA (0.42) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL4476065 0.79 CYP2A6 (0.54) FFAR1ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL634910 0.79 LTA4H (0.45) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL31391958 0.79 HRH3 (0.41) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL634485 0.79 FFAR1 (0.38) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL19616328 0.79 CA12 (0.50) ALDH1A1GAAKDM4EGLAHSD17B10
SCHEMBL1785520 0.78 MAOB (0.43) SYKALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL3484644 0.78 NAAA (0.43) FFAR1MAOBMAOA
SCHEMBL6572089 0.78 MEN1 (0.45) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL14122832 0.77 FFAR1 (0.44) FFAR1ALDH1A1GAAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234656-B Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2023-02-28 CN disclosed
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 US disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 US disclosed
US-11174261-B2 2021-11-16 US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 US disclosed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 US disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 EP disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 EP disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 WO disclosed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 WO disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 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 (10 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 FFAR1 3530/4885SYK 3288/4885ALDH1A1 119/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 FFAR1 3667/4885SYK 2660/4885ALDH1A1 367/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 FFAR1 3667/4885SYK 2660/4885ALDH1A1 367/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 FFAR1 2372/4885SYK 3553/4885ALDH1A1 527/4885

“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.