SCHEMBL10060089

SCHEMBL10060089

O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NC(CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.61
▸ ALB P02768 2/20 0.60
▸ CA9 Q16790 12/20 0.58
▸ CA1 P00915 11/20 0.58
▸ CA2 P00918 11/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA14 Q9ULX7 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ HTR3A P46098 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL18807599 1.00 FOLH1 (0.61) FOLH1ALBCA9CA1CA2
SCHEMBL20529844 1.00 FOLH1 (0.61) FOLH1ALBCA9CA1CA2
SCHEMBL31380586 1.00 FOLH1 (0.61) FOLH1ALBCA9CA1CA2
SCHEMBL19389433 0.96 FOLH1 (0.58) FOLH1ALBCA9CA1CA2
SCHEMBL22100260 0.95 FOLH1 (0.59) FOLH1ALBCA9CA1CA2
SCHEMBL13012837 0.93 CA9 (0.60) FOLH1ALBCA9CA1CA2
SCHEMBL24403901 0.91 FOLH1 (0.55) FOLH1ALBCA9CA1CA2
SCHEMBL20843781 0.90 FOLH1 (0.56) FOLH1ALBCA9CA1CA2
SCHEMBL17245299 0.90 FOLH1 (0.56) FOLH1ALBCA9CA1CA2
SCHEMBL13062332 0.90 CA9 (0.57) FOLH1ALBCA9CA1CA2

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-20230348405-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSTY 2023-11-02 — — US disclosed
US-11661402-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-30 — — US disclosed
US-11021450-B2 PSMA targeted fluorescent agents for image guided surgery THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-01 — — US disclosed
US-20200216402-A1 PSMA TARGETED FLUORESCENT AGENTS FOR IMAGE GUIDED SURGERY THE JOHNS HOPKINS UNIVERSITY 2020-07-09 — — US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 — — US disclosed
EP-2408755-B1 Urea-based peptide compounds useful for detecting inter alia prostate cancer UNIV JOHNS HOPKINS (US) 2017-05-03 — — EP disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 — — US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 — — US disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 — — US disclosed
WO-2010108125-A2 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-23 — — 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 (6 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-11021450-B2 PSMA targeted fluorescent agents for image guided surgery KLK3, FOLH1, SPR FOLH1 2/4885ALB 374/4885CA9 49/4885
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 FOLH1 1/4885ALB 2044/4885CA9 118/4885
US-20230348405-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF KLK3, FOLH1, SPR FOLH1 2/4885ALB 649/4885CA9 47/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 FOLH1 1/4885ALB 2044/4885CA9 118/4885
US-20200216402-A1 PSMA TARGETED FLUORESCENT AGENTS FOR IMAGE GUIDED SURGERY KLK3, FOLH1, SPR FOLH1 2/4885ALB 374/4885CA9 49/4885
US-11661402-B2 PSMA-targeting compounds and uses thereof KLK3, FOLH1, SPR FOLH1 2/4885ALB 649/4885CA9 47/4885

“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.

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