SCHEMBL16731647

SCHEMBL16731647

COc1cccc(-c2c(C#Cc3nccs3)cccc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.48
▸ CTSA P10619 2/20 0.45
▸ HTT P42858 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ VDR P11473 1/20 0.39

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
SCHEMBL18125281 0.86 CTSA (0.43) CTSAALDH1A1HPGDMEN1KMT2A
SCHEMBL16731649 0.81 GRM5 (0.43) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL16720506 0.80 GPR35 (0.48) DHODHALDH1A1HPGDKMT2ALMNA
SCHEMBL16720114 0.79 DHODH (0.44) DHODHHTTALDH1A1HPGDMEN1
SCHEMBL16720578 0.78 DHODH (0.50) DHODHHTTMEN1KMT2APKM
SCHEMBL16731663 0.78 NPC1 (0.40) ALDH1A1KMT2ASMN1; SMN2MAPTPKM
SCHEMBL16731648 0.78 HSD11B1 (0.39) MEN1KMT2ASMN1; SMN2MAPTHAO1
SCHEMBL29377604 0.78 DHODH (0.50) DHODHHTTMEN1KMT2APKM
SCHEMBL16731646 0.77 SYK (0.38) CTSAMAPK1HAO1
SCHEMBL16731670 0.76 GRM5 (0.40) HPGDLMNAMAPTHAO1

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-20220396551-A1 EBNA1 Inhibitors and Their Method of Use WISTAR INST (US) 2022-12-15 — — US disclosed
US-11242317-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2022-02-08 — — US disclosed
EP-3068758-B1 EBNA1 INHIBITORS AND THEIR METHOD OF USE WISTAR INST (US) 2021-09-08 — — EP disclosed
US-20200181078-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE WISTAR INST (US) 2020-06-11 — — US disclosed
US-10421718-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2019-09-24 — — US disclosed
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-06 — — US disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 — — 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 (6 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-11242317-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML DHODH 3351/4885CTSA 1676/4885HTT 2451/4885
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE MCM5, EBNA1BP2, MLLT1 DHODH 3256/4885CTSA 1669/4885HTT 2281/4885
US-20200181078-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE EBNA1BP2, MLLT1, PML DHODH 3351/4885CTSA 1676/4885HTT 2451/4885
US-10421718-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML DHODH 3351/4885CTSA 1676/4885HTT 2451/4885
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE EBNA1BP2, MLLT1, PML DHODH 3351/4885CTSA 1676/4885HTT 2451/4885
US-20220396551-A1 EBNA1 Inhibitors and Their Method of Use EBNA1BP2, MLLT1, PML DHODH 3351/4885CTSA 1676/4885HTT 2451/4885

“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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