SCHEMBL3799281

SCHEMBL3799281

COC(=O)c1ccc2ccsc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
LCK P06239 1/20 0.47
PTPN11 Q06124 1/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL31483497 1.00 HDAC1 (0.55) HDAC1CA12CA1CA2CA7
SCHEMBL826885 0.86 CTNNB1 (0.53) HDAC1CA12CA1CA2CA7
SCHEMBL30489897 0.86 CTNNB1 (0.53) HDAC1CA12CA1CA2CA7
SCHEMBL827411 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3797885 0.80 CA2 (0.49) CA2MAPTKDM4EMEN1ALDH1A1
SCHEMBL21100835 0.79 CHRNA7 (0.48) MEN1ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL30445266 0.78 MRGPRX4 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1891764 0.78 MRGPRX4 (0.55) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL4095159 0.78 CHRNA7 (0.50) MAPTKDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4085356 0.78 CHRNA7 (0.50) MAPTKDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 WO disclosed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
WO-2023109461-A1 BENZOTHIOPHENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 2023-06-22 WO disclosed
CN-116265458-A Benzothiophene derivative, preparation method and application thereof 中国科学院上海药物研究所 2023-06-20 CN disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (5 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG HDAC1 1093/4885CA12 4864/4885CA1 4849/4885
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 HDAC1 2105/4885CA12 2194/4885CA1 2773/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 HDAC1 2105/4885CA12 2194/4885CA1 2773/4885
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP HDAC1 716/4885CA12 4483/4885CA1 4582/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 HDAC1 3968/4885CA12 1568/4885CA1 423/4885

“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.