SCHEMBL408849

SCHEMBL408849

COCc1cc(C(=O)O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TPMT P51580 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PKM P14618 1/20 0.44
FOLH1 Q04609 1/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31721787 0.87 P4HB (0.44) CA1CA2CA12CA7CA9
SCHEMBL30622253 0.86 ALDH1A1 (0.48) PKMHTTPOLBL3MBTL1ALDH1A1
SCHEMBL3496851 0.86 TPMT (0.44) CA1CA2TPMTCA12CA4
SCHEMBL24595665 0.86 ALDH1A1 (0.48) PKMHTTPOLBL3MBTL1ALDH1A1
SCHEMBL30622268 0.85 NOTUM (0.50) CA1CA2CA12CA7CA9
SCHEMBL25194022 0.85 TSHR (0.44) CA1CA2TPMTCA12CA4
SCHEMBL256771 0.85 NOTUM (0.50) CA1CA2CA12CA7CA9
SCHEMBL10035065 0.83 ALDH1A1 (0.44) CA1CA2TPMTCA12CA4
SCHEMBL28784707 0.83 ALDH1A1 (0.44) CA1CA2TPMTCA12CA4
SCHEMBL29133180 0.83 GSK3B (0.49) ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333398-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2025-10-30 US disclosed
WO-2024101440-A1 COMPOUND, ENDOTHELIN A RECEPTOR ANTAGONIST, ANGIOTENSIN II TYPE 1 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2024-05-16 WO disclosed
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
WO-2023085415-A1 COMPOUND, ANGIOTENSIN-II TYPE 1 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2023-05-19 WO disclosed
WO-2023085415-A1 COMPOUND, ANGIOTENSIN-II TYPE 1 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2023-05-19 WO disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
US-5200495-A Rigid-rod benzobisazole polymer containing cyclic phosphate ester THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1993-04-06 US disclosed
US-5175232-A Rigid-rod benzobisazole copolymer containing cyclic phosphate ester THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-12-29 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 (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-20250333398-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 CA1 4884/4885CA2 3988/4885TPMT 496/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 CA1 2829/4885CA2 2987/4885TPMT 819/4885

“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.