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
SCHEMBL19616328 0.79 CA12 (0.50) ALDH1A1GAAKDM4EGLAHSD17B10
SCHEMBL31391958 0.79 HRH3 (0.41) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL4476065 0.79 CYP2A6 (0.54) FFAR1ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL634485 0.79 FFAR1 (0.38) FFAR1SYKALDH1A1GAAKDM4E
SCHEMBL634910 0.79 LTA4H (0.45) FFAR1SYKALDH1A1GAAKDM4E
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.

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