SCHEMBL64687

SCHEMBL64687

CCOC(=O)c1ccc(Br)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
DAO P14920 1/20 0.52
GSK3B P49841 2/20 0.52
HPGD P15428 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
POLB P06746 3/20 0.50
PPARG P37231 2/20 0.50
NCOA2 Q15596 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 2/20 0.50
ESR1 P03372 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL3958438 0.98 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6CES2
SCHEMBL7018973 0.86 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6HPGD
SCHEMBL1164276 0.82 CES2 (0.60) HDAC3HDAC4HDAC1HDAC6CES2
SCHEMBL2659566 0.81 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC6DAO
SCHEMBL28383825 0.80 CES2 (0.52) HDAC3HDAC4HDAC1HDAC6CES2
SCHEMBL19224033 0.80 CES2 (0.47) HDAC3HDAC4HDAC1HDAC6CES2
SCHEMBL490430 0.80 GSK3B (0.54) CES2CES1DAOGSK3BHPGD
SCHEMBL2279695 0.79 CES2 (0.45) HDAC3HDAC4HDAC1HDAC6CES2
SCHEMBL7640681 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC6HPGD
SCHEMBL5068414 0.79 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN claimed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 CN claimed
WO-2011023791-A2 METHOD FOR PRODUCING ORGANOALUMINIUM COMPOUNDS AND USE THEREOF LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-03-03 WO claimed
US-20260053393-A1 NEAR-IR GLUCOSE SENSORS PROFUSA INC (US) 2026-02-26 US disclosed
US-20250230174-A1 NEAR-IR GLUCOSE SENSORS PROFUSA, INC. (US) 2025-07-17 US disclosed
US-12285250-B2 Near-IR glucose sensors PROFUSA, INC (US) 2025-04-29 US disclosed
US-20250009915-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2025-01-09 US disclosed
US-20240376085-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2024-11-14 US disclosed
EP-4408530-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2024-08-07 EP disclosed
CN-116023359-B Synthesis method of aminothiophene compound and aminothiophene compound 上海泰坦科技股份有限公司 2024-08-02 CN disclosed
CN-118119613-A Benzimidazoles as IL-17 modulators 詹森药业有限公司 2024-05-31 CN disclosed
CN-1024006-C Ethynylheteroaromatic-acids having retinoic acid-like activity ALLERGEN INC (US) 1994-03-16 CN disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 US disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0272921-B1 ETHYNYLHETEROAROMATIC ACIDS HAVING RETINOIC ACID-LIKE ACTIVITY ALLERGAN, INC (US) 1991-04-24 EP disclosed
US-4980484-A Ethynylheteroaromatic-acids having retinoic acid-like activity ALLERGAN, INC. (US) 1990-12-25 US disclosed
US-4927947-A Ethynylheteroaromatic-acids having retinoic acid-like activity ALLERGAN, INC. (US) 1990-05-22 US disclosed
US-4923884-A Ethynylheteroaromatic-acids having retinoic acid-like activity ALLERGAN, INC. (US) 1990-05-08 US disclosed
CN-87107535-A Ethynyl heteroaromatic carboxylic acids with retinoid activity 1988-08-31 CN disclosed
EP-0272921-A1 Ethynylheteroaromatic acids having retinoic acid-like activity ALLERGAN, INC (US) 1988-06-29 EP 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-20250230174-A1 NEAR-IR GLUCOSE SENSORS IRS1, INSR, SLC2A4 HDAC3 1530/4885HDAC4 2021/4885HDAC1 2343/4885
US-20260053393-A1 NEAR-IR GLUCOSE SENSORS INSR, IRS1, SLC2A4 HDAC3 246/4885HDAC4 997/4885HDAC1 1270/4885
US-12285250-B2 Near-IR glucose sensors IRS1, SLC2A4, GPR119 HDAC3 1790/4885HDAC4 765/4885HDAC1 1557/4885
US-20250009915-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 HDAC3 194/4885HDAC4 407/4885HDAC1 90/4885
US-20240376085-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 IL17A, IL23R, IL4I1 HDAC3 165/4885HDAC4 171/4885HDAC1 70/4885

“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.