SCHEMBL17429993

SCHEMBL17429993

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
SLC6A12 P48065 5/20 0.45
SLC6A11 P48066 5/20 0.45
SLC6A13 Q9NSD5 5/20 0.45
SLC6A1 P30531 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRR1 P24046 1/20 0.45
GABRA4 P48169 1/20 0.45
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP1A2 P05177 1/20 0.35
P2RX7 Q99572 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL503733 1.00 ANPEP (0.47) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL939588 1.00 ANPEP (0.47) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL10952451 0.93 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL10952455 0.93 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL10851234 0.93 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL11798174 0.91 ANPEP (0.42) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL24197646 0.87 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL24483431 0.87 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL74792 0.87
SCHEMBL431287 0.87 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682993-B2 Anticancer compounds ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-06-20 US disclosed
US-9550741-B2 Benzoisothiazole compounds and methods of treating schizophrenia SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2017-01-24 US disclosed
US-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANAGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-04-07 US disclosed
US-20160009728-A1 ANTICANCER COMPOUNDS ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2016-01-14 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 (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-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS HTR3A, SLC6A3, HTR5A ANPEP 3131/4885ENPEP 4160/4885SLC6A12 588/4885
US-20160009728-A1 ANTICANCER COMPOUNDS MKI67, TP53, BAX ANPEP 2437/4885ENPEP 1014/4885SLC6A12 4713/4885

“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.