SCHEMBL21764427

SCHEMBL21764427

CC(C)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SLC6A9 P48067 1/20 0.41
S1PR1 P21453 1/20 0.36
PIK3CD O00329 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TACR1 P25103 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20202265 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1PIK3CDCHRM5
SCHEMBL10284339 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1PIK3CDCHRM5
SCHEMBL24220956 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1PIK3CDCHRM5
SCHEMBL21454476 0.94 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1CHRM5CHRM3
SCHEMBL18623939 0.94 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1CHRM5CHRM3
SCHEMBL14328746 0.92 HSD17B10 (0.41) HSD17B10SLC6A9S1PR1ALDH1A1KDM4E
SCHEMBL29299640 0.92 HSD17B10 (0.41) HSD17B10SLC6A9S1PR1PIK3CDCHRM5
SCHEMBL29299643 0.92 HSD17B10 (0.41) HSD17B10SLC6A9S1PR1PIK3CDCHRM5
SCHEMBL21454477 0.92 HSD17B10 (0.44) HSD17B10SLC6A9CHRM5CHRM3SIGMAR1
SCHEMBL20438446 0.91 PIK3CD (0.40) HSD17B10PIK3CDCHRM5CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2023-10-19 US disclosed
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-07-25 US disclosed
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-07-07 US disclosed
US-11147889-B2 Albumin-binding PSMA inhibitors CANCER TARGETED TECHNOLOGY LLC (US) 2021-10-19 US disclosed
US-20200061218-A1 Albumin-Binding PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 2020-02-27 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 (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-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO FAP, APC, FIBP HSD17B10 3607/4885SLC6A9 4564/4885S1PR1 397/4885
US-11147889-B2 Albumin-binding PSMA inhibitors PSMA1, ALB, PSMA2 HSD17B10 3053/4885SLC6A9 562/4885S1PR1 984/4885
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto FAP, APC, FIBP HSD17B10 3607/4885SLC6A9 4564/4885S1PR1 397/4885
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO FAP, FIBP, FGFR1 HSD17B10 3449/4885SLC6A9 4366/4885S1PR1 1958/4885
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS BCL6B, BCL6, BTD HSD17B10 2957/4885SLC6A9 705/4885S1PR1 2346/4885
US-20200061218-A1 Albumin-Binding PSMA Inhibitors PSMA1, ALB, PSMA2 HSD17B10 3053/4885SLC6A9 562/4885S1PR1 984/4885

“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.