SCHEMBL18292001

SCHEMBL18292001

CC(C)CCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(=O)O)ccc2O)CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.54
THRA P10827 4/20 0.40
THRB P10828 4/20 0.40
FFAR4 Q5NUL3 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
FFAR1 O14842 1/20 0.36
BACE1 P56817 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ALOX5 P09917 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL20158626 0.91 FOLH1 (0.47) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL1404313 0.90 FOLH1 (0.56) FOLH1FFAR4FFAR1BACE1
SCHEMBL22571849 0.90 FOLH1 (0.51) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL25801389 0.89 FOLH1 (0.52) FOLH1THRATHRBFFAR4GABRA1
SCHEMBL27303602 0.86 FOLH1 (0.52) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL25741233 0.86 FOLH1 (0.52) FOLH1FFAR4FFAR1BACE1POLB
SCHEMBL24274498 0.85 FOLH1 (0.45) FOLH1THRATHRBFFAR4
SCHEMBL18811749 0.85 FOLH1 (0.58) FOLH1THRATHRBFFAR1ALDH1A1
SCHEMBL22131080 0.84 FOLH1 (0.52) FOLH1BACE1ALDH1A1
SCHEMBL18811743 0.83 FOLH1 (0.56) FOLH1THRATHRBFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401592-A1 LOW MOLECULAR WEIGHT AND POLYAMIDOAMINE (PAMAM) DENDRIMER BASED PSMA-SPECIFIC DUAL CONTRAST AGENTS FOR OPTICAL AND PHOTOACOUSTIC IMAGING AND THERANOSTIC AGENTS FOR TREATING PROSTATE CANCER THE JOHNS HOPKINS UNIVERSTY 2022-12-22 US disclosed
EP-3455222-B1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-03-02 EP disclosed
US-10857246-B2 Nuclear imaging and radiotherapeutics agents targeting carbonic anhydrase IX and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-12-08 US disclosed
US-20200330613-A1 SALICYLIC ACID-BASED POLYMERIC CEST CONTRAST AGENTS TARGETING PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2020-10-22 US disclosed
US-10688198-B2 Salicylic acid-based polymeric CEST contrast agents targeting prostate-specific membrane antigen and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-23 US disclosed
US-20190192699-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-06-27 US disclosed
US-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-05-17 US disclosed
WO-2017197251-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-16 WO disclosed
WO-2016196628-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-08 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-10688198-B2 Salicylic acid-based polymeric CEST contrast agents targeting prostate-specific membrane antigen and uses thereof KLK3, PSAT1, SPAG5 FOLH1 4/4885THRA 2709/4885THRB 3531/4885
US-20190192699-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF CA9, CA14, CA13 FOLH1 15/4885THRA 1676/4885THRB 2222/4885
US-20200330613-A1 SALICYLIC ACID-BASED POLYMERIC CEST CONTRAST AGENTS TARGETING PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF KLK3, PSAT1, SPAG5 FOLH1 4/4885THRA 2709/4885THRB 3531/4885
US-10857246-B2 Nuclear imaging and radiotherapeutics agents targeting carbonic anhydrase IX and uses thereof CA9, CA14, CA13 FOLH1 15/4885THRA 1676/4885THRB 2222/4885
US-20220401592-A1 LOW MOLECULAR WEIGHT AND POLYAMIDOAMINE (PAMAM) DENDRIMER BASED PSMA-SPECIFIC DUAL CONTRAST AGENTS FOR OPTICAL AND PHOTOACOUSTIC IMAGING AND THERANOSTIC AGENTS FOR TREATING PROSTATE CANCER PAM, FOLH1, KLK3 FOLH1 2/4885THRA 1139/4885THRB 2644/4885
US-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF CA9, CA14, CA13 FOLH1 15/4885THRA 1676/4885THRB 2222/4885

“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.