SCHEMBL9911530

SCHEMBL9911530

CC(C)NC[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
VCP P55072 5/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL12871182 1.00 PLG (0.48) PLGPLATLMNAKMT2AMEN1
SCHEMBL12674307 0.85 TDP1 (0.36) PLGPLATLMNAKMT2AMEN1
SCHEMBL13282223 0.85 TDP1 (0.36) PLGPLATLMNAKMT2AMEN1
SCHEMBL27014678 0.83 TDP1 (0.35) KMT2AMEN1ALDH1A1CYP2C9SIGMAR1
SCHEMBL21297380 0.83 TDP1 (0.35) KMT2AMEN1ALDH1A1CYP2C9SIGMAR1
SCHEMBL12667395 0.83 TDP1 (0.35) KMT2AMEN1ALDH1A1CYP2C9SIGMAR1
SCHEMBL8057761 0.83 TDP1 (0.35) KMT2AMEN1ALDH1A1CYP2C9SIGMAR1
SCHEMBL13999457 0.83 TDP1 (0.44) PLGPLATLMNAKMT2AALDH1A1
SCHEMBL18739823 0.83 TDP1 (0.35) KMT2AMEN1ALDH1A1CYP2C9SIGMAR1
SCHEMBL20032107 0.81 EPHX1 (0.42) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (1 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-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN PLG 4352/4885PLAT 2618/4885LMNA 4811/4885

“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.