SCHEMBL773237

SCHEMBL773237

Cn1cc(C(=O)O)c(C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.41
SORT1 Q99523 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL5720264 0.83 POLB (0.41) GRNSORT1KDM4EGAALMNA
SCHEMBL2445416 0.83 LMNA (0.41) GRNSORT1KDM4EGAALMNA
SCHEMBL19182678 0.83 GAA (0.56) GAALMNAPOLBCYP1A2CYP2C19
SCHEMBL353314 0.83 GAA (0.56) GAALMNAPOLBCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8355477 0.81 GAA (0.55) GAALMNAPOLBCYP1A2CYP2C19
SCHEMBL2347739 0.80 GAA (0.47) GRNSORT1GAALMNAPOLB
SCHEMBL2903444 0.80 LMNA (0.46) GAALMNAPOLBRAB9ANOTUM
SCHEMBL1194663 0.80 LMNA (0.46) GRNSORT1KDM4EGAALMNA
SCHEMBL1195430 0.79 LMNA (0.45) GAALMNAPOLBCYP1A2CYP2C9
SCHEMBL6642192 0.75 GAA (0.38) KDM4EGAACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-2440554-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS Merck Serono S.A. (CH) 2012-04-18 EP disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 WO 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-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS GRN 2642/4885SORT1 3651/4885KDM4E 3378/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 GRN 3229/4885SORT1 2822/4885KDM4E 3402/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS GRN 2642/4885SORT1 3651/4885KDM4E 3378/4885

“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.