SCHEMBL5720941

SCHEMBL5720941

N[C@H](CC(=O)O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ITGB3 P05106 9/20 0.48
ITGAV P06756 8/20 0.48
ITGA2B P08514 5/20 0.48
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CTSA P10619 1/20 0.45

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
SCHEMBL157097 1.00 TBXAS1 (0.50) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL157096 1.00 TBXAS1 (0.50) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL30829068 1.00 TBXAS1 (0.50) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7145554 0.98 TBXAS1 (0.49) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7145559 0.98 TBXAS1 (0.49) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL6777920 0.98 TBXAS1 (0.49) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL6786456 0.98 TBXAS1 (0.49) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Cadaverine Tartrate SCHEMBL6954532 0.92 KDM4E (0.54) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Cadaverine Tartrate SCHEMBL6954517 0.92 KDM4E (0.54) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL9264022 0.91 TBXAS1 (0.44) TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 US disclosed
US-20190330618-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2019-10-31 US disclosed
US-10287576-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2019-05-14 US disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
EP-2341140-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP disclosed
EP-1957644-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2010-12-01 EP disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 WO disclosed
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP disclosed
US-6849639-B2 Anticancer agents, antiinflamatory agents, osteoporosis, atherosclerosis AMGEN INC. (US) 2005-02-01 US disclosed
EP-1240158-A1 1-(AMINOPHENYL)-2-PYRROLIDONES AS INTEGRIN INHIBITORS Amgen Inc., (US) 2002-09-18 EP disclosed
US-20020019402-A1 Integrin inhibitors and their methods of use AMGEN INC. 2002-02-14 US disclosed
WO-2001044230-A1 1-(AMINOPHENYL)-2-PYRROLIDONES AS INTEGRIN INHIBITORS AMGEN INC. (US) 2001-06-21 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-20020019402-A1 Integrin inhibitors and their methods of use ITGB3, ITGA5, ITGB5 TBXAS1 474/4885SMN1; SMN2 1945/4885ITGB3 1/4885
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 TBXAS1 1100/4885SMN1; SMN2 3626/4885ITGB3 3814/4885
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 TBXAS1 396/4885SMN1; SMN2 3856/4885ITGB3 543/4885

“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.