SCHEMBL2368871

SCHEMBL2368871

O=C(O)CCC(OP(=O)(Cc1ccncc1)SO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 2/20 0.33
FFAR1 O14842 1/20 0.33
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
BCHE P06276 1/20 0.32
CPA3 P15088 1/20 0.32
GRM8 O00222 1/20 0.32
GRM4 Q14833 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2368169 0.88 CPA3 (0.43) FOLH1CPA3CYP2C19
SCHEMBL1373610 0.83 FOLH1 (0.40) USP2TSHRALDH1A1FOLH1ANPEP
SCHEMBL2368876 0.81 ALPG (0.38) USP2TSHRALDH1A1ALPLALPI
SCHEMBL2368226 0.80 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL2368868 0.80 ALDH1A1 (0.35) USP2TSHRALDH1A1FOLH1FFAR1
SCHEMBL7609509 0.76 ERAP2 (0.40) USP2TSHRALDH1A1ALPLALPI
SCHEMBL7604977 0.75 FOLH1 (0.40) USP2TSHRFOLH1BCHEGRM8
SCHEMBL2368594 0.74 HDAC3 (0.44) TSHRSMN1; SMN2FOLH1FFAR1CPA3
SCHEMBL2368125 0.74 FOLH1 (0.37) FOLH1CYP1A2
SCHEMBL2368613 0.73 FOLH1 (0.44) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2024-09-17 US disclosed
US-20220098564-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2022-03-31 US disclosed
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2021-10-26 US disclosed
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2020-09-10 US disclosed
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2020-02-11 US disclosed
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2019-01-03 US disclosed
US-9951324-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2016-06-02 US disclosed
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
WO-2011106639-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2011-09-01 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 (8 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-20220098564-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 USP2 2375/4885TSHR 3030/4885ALDH1A1 2748/4885

“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.