SCHEMBL3071

SCHEMBL3071

CC(C)[C@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.49
SLC15A1 P46059 1/20 0.47
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CA2 P00918 6/20 0.44
CA1 P00915 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CA5A P35218 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
SCHEMBL719256 1.00 LMNA (0.52) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL6447396 1.00 LMNA (0.52) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL7758366 0.91 LMNA (0.51) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL716770 0.90 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA2
SCHEMBL1670578 0.90 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA2
SCHEMBL719791 0.90 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA2
SCHEMBL1287362 0.89 LMNA (0.49) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL5917169 0.89 LMNA (0.49) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL1287363 0.89 LMNA (0.49) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL7759042 0.87 LMNA (0.49) LMNAMAPTCYP2D6MAPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108079806-B Polyamide semipermeable membrane, preparation method and application thereof 浙江大学 2020-09-08 CN claimed
CN-108079806-A A kind of polyamide semi-permeable membrane, preparation method and applications 浙江大学 2018-05-29 CN claimed
EP-0985658-B1 PROCESS FOR PRODUCING L-VALINE BENZYL ESTER P-TOLUENESULFONATE SUMIKA FINE CHEMICALS CO LTD (JP) 2004-05-12 EP claimed
EP-0985658-A1 PROCESS FOR PRODUCING L-VALINE BENZYL ESTER P-TOLUENESULFONATE SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-03-15 EP claimed
CN-119799303-A Solid surfactant and preparation method and application thereof 中国石油化工股份有限公司 2025-04-11 CN disclosed
US-20240002436-A1 RESPIRATORY TREATMENTS HOFSETH BIOCARE ASA (NO) 2024-01-04 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
EP-4247165-A1 RESPIRATORY TREATMENTS Hofseth Biocare ASA (NO) 2023-09-27 EP disclosed
US-20230255922-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2023-08-17 US disclosed
US-11672775-B2 Treprostinil prodrugs UNITED THERAPEUTICS CORPORATION (US) 2023-06-13 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
US-5023237-A Using oligopeptide containing glycine, histidine, and lysine PROCYTE CORPORATION (US) 1991-06-11 US disclosed
WO-1991007431-A1 METAL-PEPTIDE COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH PROCYTE CORPORATION (US) 1991-05-30 WO disclosed
WO-1991005797-A1 METHODS AND COMPOSITIONS FOR HEALING BONE PROCYTE CORPORATION (US) 1991-05-02 WO disclosed
EP-0423358-A1 POSTOSTATIN AND RELATED COMPOUND THEREOF, OR THEIR SALTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1991-04-24 EP disclosed
WO-1991003488-A1 METHODS AND COMPOSITIONS FOR HEALING ULCERS PROCYTE CORPORATION (US) 1991-03-21 WO disclosed
EP-0408973-A1 Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-01-23 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0317573-A1 ANTIPYRETIC AND ANTI-INFLAMMATORY PEPTIDES. UNIV TEXAS (US) 1989-05-31 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 (3 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-20240002436-A1 RESPIRATORY TREATMENTS TSLP, MCOLN3, MCOLN1 LMNA 1425/4885MAPT 3624/4885SLC15A1 3616/4885
US-11672775-B2 Treprostinil prodrugs TYMP, TK1, DCTPP1 LMNA 3503/4885MAPT 3076/4885SLC15A1 1299/4885
US-20230255922-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 LMNA 3503/4885MAPT 3076/4885SLC15A1 1299/4885

“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.