SCHEMBL1697385

SCHEMBL1697385

CSCC[C@@H]([C]=O)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RNPEP Q9H4A4 1/20 0.38
TSHR P16473 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 1/20 0.33
CTSB P07858 1/20 0.32
GAA P10253 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
FOLH1 Q04609 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL742875 1.00 ALDH1A1 (0.41) ALDH1A1RNPEPTSHRCTSSCTSK
SCHEMBL11053310 0.86 RNPEP (0.39) ALDH1A1RNPEPTSHRCTSSCTSK
SCHEMBL11053305 0.86 RNPEP (0.39) ALDH1A1RNPEPTSHRCTSSCTSK
SCHEMBL9114022 0.82 CTSB (0.50) ALDH1A1CTSSCTSKCTSBFOLH1
SCHEMBL8722926 0.81 ALDH1A1 (0.38) ALDH1A1RNPEP
SCHEMBL3923432 0.81 CTSB (0.49) ALDH1A1CTSSCTSKCTSBFOLH1
SCHEMBL3911006 0.78
SCHEMBL56437 0.78 HDAC7 (0.35) ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL3911009 0.78
SCHEMBL3819093 0.76 CTSK (0.56) ALDH1A1TSHRCTSSCTSKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1271049-C Method for synthesizing polycarbo amide SHANGHAI MEDICINES INST CHINES (CN) 2006-08-23 CN claimed
CN-1470506-A Method for synthesizing polycarbo amide 中国科学院上海药物研究所 2004-01-28 CN claimed
US-5236950-A Phytol and isophytol derivatives TOYAMA CHEMICAL CO., LTD. (JP) 1993-08-17 US claimed
CN-111825611-A 4(1H) -quinovone derivatives and uses thereof 中央研究院 2020-10-27 CN disclosed
US-10414737-B2 Process methods for phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-09-17 US disclosed
US-20190031626-A1 PROCESS METHODS FOR PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2019-01-31 US disclosed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP disclosed
US-20130123537-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE AUROBINDO PHARMA LTD. (IN) 2013-05-16 US disclosed
US-8318716-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-11-27 US disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 US disclosed
WO-2011144983-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF LACOSAMIDE AUROBINDO PHARMA LIMITED (IN) 2011-11-24 WO disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 EP disclosed
WO-2007115685-A1 METHOD FOR PRODUCING BIPHENYLAMINES FROM VINYL ANILINES BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
CN-1267435-C Novel process for preparing oxabispidines ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
CN-1196696-C New thiochromane derivatives and use as thrombin inhibitors ASTRAZENECA AG (SE) 2005-04-13 CN disclosed
CN-1520417-A New process for prepn. of oxabispidines 2004-08-11 CN disclosed
CN-1441799-A New thiochromane derivatives and use as thrombin inhibitors ASTRAZENECA AG (SE) 2003-09-10 CN disclosed
EP-0927019-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 1999-07-07 EP disclosed
WO-1998048768-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-05 WO disclosed
EP-0326067-A2 Use of cyclophilin as an anti-inflammatory and immunomodulatory agent THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-08-02 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-20130123537-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE MYT1, TET1, LPXN ALDH1A1 2151/4885RNPEP 233/4885TSHR 3350/4885
US-10414737-B2 Process methods for phosphatidylinositol 3-kinase inhibitors PIK3CB, PIK3CA, PIP4K2B ALDH1A1 3592/4885RNPEP 3036/4885TSHR 4097/4885
US-20190031626-A1 PROCESS METHODS FOR PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CB, PIK3CA, PIP4K2B ALDH1A1 3592/4885RNPEP 3036/4885TSHR 4097/4885

“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.