SCHEMBL5692175

SCHEMBL5692175

Cc1ccc(C(=O)O[C@@H]2C(=O)OC(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2969544 1.00 TDP1 (0.50) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL8458023 1.00 TDP1 (0.50) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL5800186 0.90 TDP1 (0.44) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL8158299 0.90 TDP1 (0.44) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL1751897 0.81 LMNA (0.48) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL637664 0.81 LMNA (0.48) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8461979 0.81 RAB9A (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL8461105 0.80 PARP1 (0.46) TDP1MAPTKMT2APOLBALDH1A1
SCHEMBL24279365 0.76 SCN1A (0.46) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4544916 0.72 SCN1A (0.75) TDP1SCN1ASCN2ASCN3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370754-B2 Method of preparing (3R,4S)-3-acetamido-4-allyl-n-(tert-butyl)pyrrolidine-3-carboxamide CALITHERA BIOSCIENCES, INC. (US) 2022-06-28 US disclosed
EP-3621954-B1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE CALITHERA BIOSCIENCES INC (US) 2022-03-09 EP disclosed
US-20210155589-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE CALITHERA BIOSCIENCES, INC. (US) 2021-05-27 US disclosed
US-10906872-B2 Method of preparing (3R,4S)-3-acetamido-4-allyl-n-(tert-butyl)pyrrolidine-3-carboxamide CALITHERA BIOSCIENCES, INC. (US) 2021-02-02 US disclosed
US-20200087255-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE CALITHERA BIOSCIENCES, INC. (US) 2020-03-19 US disclosed
US-20060270847-A1 Process for producing nitrogenous heterocyclic compound TORAY FINE CHEMICALS CO., LTD. (JP) 2006-11-30 US disclosed
EP-1640364-A1 PROCESS FOR PRODUCING NITROGENOUS HETEROCYCLIC COMPOUND Toray Fine Chemicals Co., Ltd. (JP) 2006-03-29 EP disclosed
EP-0600714-B1 Process for producing O,O'-diacyltartaric anhydride and process for producing O,O'-diacyltartaric acid TORAY INDUSTRIES (JP) 1999-08-18 EP disclosed
EP-0924188-A1 Production of 0,0'-diacyltartaric acid crystals TORAY INDUSTRIES, INC. (JP) 1999-06-23 EP disclosed
US-5451687-A Process for producing O,O'-diacyltartaric anhydride and process for producing O,O'-diacyltartaric acid TORAY INDUSTRIES, INC. (JP) 1995-09-19 US disclosed
EP-0600714-A1 Process for producing O,O'-diacyltartaric anhydride and process for producing O,O'-diacyltartaric acid TORAY INDUSTRIES, INC. (JP) 1994-06-08 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 (5 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-20200087255-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE TERT, CTPS1, CTPS2 TDP1 2064/4885SCN1A 2132/4885SCN2A 1512/4885
US-10906872-B2 Method of preparing (3R,4S)-3-acetamido-4-allyl-n-(tert-butyl)pyrrolidine-3-carboxamide TERT, CTPS1, CTPS2 TDP1 2064/4885SCN1A 2132/4885SCN2A 1512/4885
US-11370754-B2 Method of preparing (3R,4S)-3-acetamido-4-allyl-n-(tert-butyl)pyrrolidine-3-carboxamide TERT, CTPS1, CTPS2 TDP1 2064/4885SCN1A 2132/4885SCN2A 1512/4885
US-20060270847-A1 Process for producing nitrogenous heterocyclic compound HNMT, HRH4, QDPR TDP1 3428/4885SCN1A 1705/4885SCN2A 750/4885
US-20210155589-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE TERT, CTPS1, CTPS2 TDP1 2064/4885SCN1A 2132/4885SCN2A 1512/4885

“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.