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SCHEMBL2214960

SCHEMBL2214960

CC(C)OC(=O)C(N)CSSC[C@H](N)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ KIF11 P52732 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ GMNN O75496 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL5654054 1.00 TSHR (0.37) TSHRKIF11CYP3A4CYP2D6NFKB1
SCHEMBL2214956 1.00 TSHR (0.37) TSHRKIF11CYP3A4CYP2D6NFKB1
SCHEMBL14150765 0.92 SLC7A5 (0.41) KIF11SLC7A5NOS1NOS2NOS3
SCHEMBL14150764 0.92 SLC7A5 (0.41) KIF11SLC7A5NOS1NOS2NOS3
SCHEMBL20215620 0.92 KIF11 (0.38) TSHRKIF11SMN1; SMN2CA12CA1
SCHEMBL24374504 0.92 SLC7A5 (0.41) KIF11SLC7A5NOS1NOS2NOS3
SCHEMBL14227090 0.91 TSHR (0.31) TSHRKIF11
SCHEMBL23743117 0.87 TSHR (0.37) TSHRKIF11LMNASLC7A5CYP4F2
SCHEMBL27725195 0.83 TSHR (0.31) TSHR
SCHEMBL23743097 0.83 METAP2 (0.40) TSHRKIF11LMNASLC7A5CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 — — US claimed
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2020-09-01 — — US disclosed
US-20180305307-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2018-10-25 — — US disclosed
US-9040261-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2015-05-26 — — US disclosed
US-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2015-04-09 — — US disclosed
US-8916609-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2014-12-23 — — US disclosed
US-20130338225-A1 Compounds As L-Cystine Crystallization Inhibitors And Uses Thereof NEW YORK UNIVERSITY (US) 2013-12-19 — — US disclosed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 — — US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 — — US disclosed
US-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-21 — — US disclosed
US-7105570-B2 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2006-09-12 — — US disclosed
US-6703031-B1 OXIDATIVE STRESS INHIBITOR; RETARDING AGING OF SKIN AJINOMOTO CO., INC. (JP) 2004-03-09 — — US disclosed
US-6602492-B2 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2003-08-05 — — US disclosed
EP-1120407-A1 CYSTEINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-08-01 — — 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 (6 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-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN TSHR 2997/4885KIF11 4357/4885CYP3A4 3400/4885
US-20130338225-A1 Compounds As L-Cystine Crystallization Inhibitors And Uses Thereof GLS, PKD1, CTSA TSHR 2601/4885KIF11 4386/4885CYP3A4 3794/4885
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof ATP6V1B1, GLS, REN TSHR 2997/4885KIF11 4357/4885CYP3A4 3400/4885
US-20180305307-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN TSHR 2924/4885KIF11 4387/4885CYP3A4 3321/4885
US-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF GLS, PKD1, CLIC1 TSHR 2567/4885KIF11 4118/4885CYP3A4 3877/4885
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN TSHR 2997/4885KIF11 4357/4885CYP3A4 3400/4885

“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.