SCHEMBL14729401

SCHEMBL14729401

Cc1nc(N[C@@H](CCC(=O)O)C(=O)O)sc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 5/20 0.39
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
HTT P42858 1/20 0.38
GGH Q92820 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 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
SCHEMBL18145629 1.00 NPC1 (0.44) NPC1ALDH1A1HPGDTSHRPKM
SCHEMBL22736851 0.92 NPC1 (0.42) NPC1ALDH1A1HPGDTSHRPKM
SCHEMBL22737300 0.82 FOLH1 (0.38) HPGDFOLH1RIMKLANAALAD2GGH
SCHEMBL347124 0.72 NPC1 (0.47) NPC1ALDH1A1HPGDTSHRPKM
SCHEMBL8554963 0.70 ALDH1A1 (0.55) NPC1ALDH1A1HPGDTSHRPKM
SCHEMBL13408956 0.69 ALDH1A1 (0.58) NPC1ALDH1A1HPGDTSHRTDP1
SCHEMBL8556409 0.69 NPC1 (0.60) NPC1ALDH1A1HPGDTSHRPKM
SCHEMBL22750815 0.69 ALDH1A1 (0.53) NPC1ALDH1A1HPGDTSHRPKM
Hydrochloric Acid SCHEMBL8556705 0.68 NPC1 (0.58) NPC1ALDH1A1HPGDTSHRPKM
SCHEMBL3585209 0.67 ALDH1A1 (0.64) NPC1ALDH1A1HPGDTSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583887-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2026-03-24 US disclosed
US-12559521-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2026-02-24 US disclosed
US-20240425547-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2024-12-26 US disclosed
US-20240409580-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2024-12-12 US disclosed
US-12139554-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2024-11-12 US disclosed
US-12122851-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2024-10-22 US disclosed
US-20210032286-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-02-04 US disclosed
US-20210032286-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-02-04 US disclosed
US-20210024574-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-01-28 US disclosed
US-20210024574-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-01-28 US disclosed
US-20200377549-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2020-12-03 US disclosed
US-20200377549-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2020-12-03 US disclosed
US-20180258134-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2018-09-13 US disclosed
US-10011632-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2018-07-03 US disclosed
US-10011632-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2018-07-03 US disclosed
US-10011632-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2018-07-03 US disclosed
US-20160304555-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2016-10-20 US disclosed
US-20160304555-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2016-10-20 US disclosed
US-20160304555-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2016-10-20 US disclosed
WO-2013028664-A1 PSMA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-02-28 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 (12 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-20240425547-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-20180258134-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-20240409580-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-12559521-B2 PSMA imaging agents KLK3, PSMA1, PSMA6 NPC1 101/4885ALDH1A1 2393/4885HPGD 1527/4885
US-12139554-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-20200377549-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-12583887-B2 PSMA imaging agents KLK3, PSMA3, PSMA1 NPC1 51/4885ALDH1A1 2109/4885HPGD 1518/4885
US-20210032286-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-10011632-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-12122851-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-20210024574-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885
US-20160304555-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885ALDH1A1 3049/4885HPGD 1024/4885

“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.