SCHEMBL7092944

SCHEMBL7092944

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
TP53 P04637 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALOX15 P16050 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 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
SCHEMBL255602 1.00 TSHR (0.50) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL13849512 1.00 TSHR (0.50) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL42203 1.00 TSHR (0.50) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL1442538 1.00 TSHR (0.50) TSHRTP53SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL9842020 0.97 TSHR (0.48) TSHRTP53SLC1A3SLC1A2SLC1A1
Water SCHEMBL28115835 0.97 TSHR (0.48) TSHRTP53SLC1A3SLC1A2SLC1A1
Ammonia Solution, Strong SCHEMBL1333562 0.97 TSHR (0.48) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL18857848 0.92 TSHR (0.43) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL28297278 0.92 TSHR (0.43) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL8458943 0.87 TSHR (0.40) TSHRTP53SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939841-B Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-4- (3-chlorophenyl) butyric acid 康化(上海)新药研发有限公司 2024-06-07 CN claimed
CN-117903045-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-3- [4- (2-pyridine) phenyl ] propionic acid 康化(上海)新药研发有限公司 2024-04-19 CN claimed
CN-116606223-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-6, 6-dimethyl N-heptanoic acid 康化(上海)新药研发有限公司 2023-08-18 CN claimed
CN-115260060-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonylamino-5, 5-dimethyl norleucine 康化(上海)新药研发有限公司 2022-11-01 CN claimed
CN-112939841-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonylamino-4- (3-chlorphenyl) butyric acid 康化(上海)新药研发有限公司 2021-06-11 CN claimed
JP-63192746-A None JP disclosed
CN-112939841-B Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-4- (3-chlorophenyl) butyric acid 康化(上海)新药研发有限公司 2024-06-07 CN disclosed
CN-112939841-B Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-4- (3-chlorophenyl) butyric acid 康化(上海)新药研发有限公司 2024-06-07 CN disclosed
CN-117903045-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-3- [4- (2-pyridine) phenyl ] propionic acid 康化(上海)新药研发有限公司 2024-04-19 CN disclosed
CN-117903045-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-3- [4- (2-pyridine) phenyl ] propionic acid 康化(上海)新药研发有限公司 2024-04-19 CN disclosed
WO-2024075131-A1 CO-CRYSTAL OF UPADACITINIB AND DIACETYL-D-TARTARIC ACID AND PROCESS FOR THE PREPARATION THEREOF NATCO PHARMA LIMITED (IN) 2024-04-11 WO disclosed
CN-116606223-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-6, 6-dimethyl N-heptanoic acid 康化(上海)新药研发有限公司 2023-08-18 CN disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 US disclosed
US-20030158152-A1 Protease inhibitors and their pharmaceutical uses CRUZ-FIOCRUZ, FUNDACAO OSWALDO (BR) 2003-08-21 US disclosed
EP-1335895-A2 PROTEASE INHIBITORS AND THEIR PHARMACEUTICAL USES Fundacao Oswaldo Cruz - Fiocruz (BR) 2003-08-20 EP disclosed
WO-2002042412-A2 PROTEASE INHIBITORS AND THEIR PHARMACEUTICAL USES Fundação Oswaldo Cruz - FIOCRUZ (BR) 2002-05-30 WO disclosed
US-6320069-B1 REACTING RACEMIC ALCOHOL WITH OPTICALLY ACTIVE AMINO ACID TO PRODUCE AMINO ACID ESTER, PERFORMING DIASTEREOMER RESOLUTION THEREON BY PROCESS SELECTED FROM CRYSTALLIZATION SEPARATION, COLUMN SEPARATION AND SIMULATED MOVING BED SEPARATION TORAY INDUSTRIES, INC. (JP) 2001-11-20 US disclosed
EP-0924180-A1 PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE KETONES TORAY INDUSTRIES, INC. (JP) 1999-06-23 EP disclosed
JP-S63192746-A 3-CYANO-2-HYDROXYPROPYLTRIMETHYLAMMONIUM- DIACETYLTARTRATE AND PRODUCTION THEREOF BITAMIN KENKYUSHO:KK 1988-08-10 JP disclosed
US-3932429-A Novel azabicyclo octane derivative and process for preparing same TANABE SEIYAKU CO., LTD (JA) 1976-01-13 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 (2 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-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A TSHR 4455/4885TP53 2/4885SLC1A3 4813/4885
US-20030158152-A1 Protease inhibitors and their pharmaceutical uses PEPD, DNPEP, PREP TSHR 4612/4885TP53 1385/4885SLC1A3 2076/4885

“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.