SCHEMBL6841182

SCHEMBL6841182

COC(=O)C[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
CTSS P25774 4/20 0.54
CTSL P07711 3/20 0.54
CTSK P43235 4/20 0.53
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
CASP1 P29466 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
CTSB P07858 2/20 0.50
KYNU Q16719 1/20 0.50
REN P00797 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
SCHEMBL8972716 1.00 ATM (0.56) ATMCTSSCTSLCTSKCTRB1
SCHEMBL29012329 0.90 ATM (0.52) ATMCTSSCTSLCTSKCTRB1
SCHEMBL29012328 0.90 ATM (0.52) ATMCTSSCTSLCTSKCTRB1
SCHEMBL2902518 0.89 ATM (0.53) ATMCTSSCTSLCTSKCTRB1
SCHEMBL8971843 0.89 ATM (0.53) ATMCTSSCTSLCTSKCTRB1
SCHEMBL5194569 0.88 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL265847 0.88 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL4184372 0.88 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL8971830 0.87 ELANE (0.55) ATMCTSSCTSLCTSKCTRB1
SCHEMBL10966776 0.87 CTRB1 (0.61) ATMCTSSCTSLCTSKCTRB1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-07-31 US disclosed
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2018-07-10 US disclosed
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2018-03-22 US disclosed
US-9861599-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-01-09 US disclosed
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 US disclosed
US-9783487-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2017-10-10 US disclosed
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-02-09 US disclosed
US-20160346240-A1 METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS QUADRIGA BIOSCIENCES, INC. 2016-12-01 US disclosed
US-20160296484-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-13 US disclosed
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-9394237-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 US disclosed
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-06-30 US disclosed
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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 (12 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ATM 4055/4885CTSS 62/4885CTSL 18/4885
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885CTSS 3089/4885CTSL 3308/4885
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 ATM 3016/4885CTSS 3040/4885CTSL 3304/4885
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885CTSS 3271/4885CTSL 3521/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP ATM 4055/4885CTSS 62/4885CTSL 18/4885
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885CTSS 3271/4885CTSL 3521/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885CTSS 3089/4885CTSL 3308/4885
US-20160346240-A1 METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS BCAT1, CDC25C, BCAT2 ATM 365/4885CTSS 1098/4885CTSL 405/4885
US-20160296484-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885CTSS 3271/4885CTSL 3521/4885
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885CTSS 3271/4885CTSL 3521/4885
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885CTSS 3271/4885CTSL 3521/4885
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885CTSS 3271/4885CTSL 3521/4885

“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.