SCHEMBL738576

SCHEMBL738576

CC(C)(NC(=O)O)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL28707490 0.82 TSHR (0.39) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11259521 0.74
SCHEMBL23571 0.72 PDK1 (0.32) ALDH1A1TSHRTHRBTP53
SCHEMBL30130704 0.71
SCHEMBL28102290 0.70
SCHEMBL9253 0.69
SCHEMBL6722104 0.69
SCHEMBL20206689 0.69 PIK3CD (0.34) POLB
SCHEMBL2825781 0.67
Ammonia Solution, Strong SCHEMBL1793738 0.67 EPHX1 (0.40) ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-2646411-B1 PREPARATION OF PET PRECURSOR BLUE EARTH DIAGNOSTICS LTD (GB) 2017-08-16 EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-12281118-B2 Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method, and use SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2025-04-22 US disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
CN-109563509-B Reduced size self-delivering nucleic acid compounds targeting long non-coding RNAs 菲奥医药公司 2022-08-09 CN disclosed
EP-1562932-B1 4-TETRAZOLYL-4-PHENYLPIPERIDINE DERIVATIVES FOR TREATING PAIN EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
US-20060217371-A1 Diazabicyclononene and tetrahydropyriddine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-09-28 US disclosed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 WO disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
US-20040152689-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE, S.A. 2004-08-05 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-20060217371-A1 Diazabicyclononene and tetrahydropyriddine derivatives as renin inhibitors REN, ACE, ACE2 ALDH1A1 1137/4885TSHR 2999/4885THRB 2946/4885
US-12281118-B2 Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method, and use PTPN1, PTPN7, PTPN9 ALDH1A1 3157/4885TSHR 2555/4885THRB 3505/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE ALDH1A1 391/4885TSHR 2730/4885THRB 2954/4885
US-20040152689-A1 Therapeutic agents useful for treating pain OPRL1, OPRK1, OGFR ALDH1A1 1831/4885TSHR 1034/4885THRB 291/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC ALDH1A1 795/4885TSHR 4635/4885THRB 4141/4885

“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.