SCHEMBL17119221

SCHEMBL17119221

CC(C)(S)CNCCCNCC(C)(C)S

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2225315 0.88
SCHEMBL5733012 0.87 TSHR (0.38) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL7794644 0.83
SCHEMBL11259548 0.83 TSHR (0.52) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7792166 0.81 TSHR (0.50) CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL16716017 0.80
SCHEMBL13630903 0.79 KDM4E (0.33) CYP2C19MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL8025616 0.78 CA12 (0.50) CYP2C19MEN1KMT2ACYP1A2CA12
SCHEMBL9419694 0.75 CYP2C19 (0.40) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL13246677 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321287-A1 RADIOLABELLED GRPR-ANTAGONIST FOR USE AS THERAGNOSTIC NOVARTIS AG (CH) 2023-10-12 US disclosed
US-20220008568-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2022-01-13 US disclosed
US-20210346528-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-11-11 US disclosed
US-20210346529-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-11-11 US disclosed
US-11083805-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-08-10 US disclosed
EP-3536347-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER Advanced Accelerator Applications USA, Inc. (US) 2019-09-11 EP disclosed
EP-2900279-B1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER ADVANCED ACCELERATOR APPLICATIONS USA INC (US) 2019-08-14 EP disclosed
US-20180133349-A1 Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2018-05-17 US disclosed
US-20180133349-A1 Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2018-05-17 US disclosed
US-9839703-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS USA, INC. (US) 2017-12-12 US disclosed
US-9839703-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS USA, INC. (US) 2017-12-12 US disclosed
US-20150265732-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2015-09-24 US disclosed
US-20150265732-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2015-09-24 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 (7 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-20150265732-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER GRPR, GIPR, CCKBR CYP2C19 4173/4885MEN1 335/4885GLA 499/4885
US-20180133349-A1 Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CYP2C19 4231/4885MEN1 253/4885GLA 433/4885
US-20210346528-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CYP2C19 4231/4885MEN1 253/4885GLA 433/4885
US-20210346529-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CYP2C19 4231/4885MEN1 253/4885GLA 433/4885
US-20220008568-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CYP2C19 4231/4885MEN1 253/4885GLA 433/4885
US-11083805-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer GRPR, GIPR, CCKBR CYP2C19 4231/4885MEN1 253/4885GLA 433/4885
US-20230321287-A1 RADIOLABELLED GRPR-ANTAGONIST FOR USE AS THERAGNOSTIC GRPR, GIPR, SCTR CYP2C19 2794/4885MEN1 180/4885GLA 1398/4885

“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.