Sugi Predict

Sugi Predict / Compounds / SCHEMBL728602

SCHEMBL728602

SCHEMBL728602

NC(=S)Nc1ccc(N=C=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 3/20 0.58
▸ ALDH1A1 P00352 4/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TP53 P04637 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TAS2R38 P59533 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MIF P14174 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL22883166 0.85 P2RY6 (0.58) P2RY6ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4572230 0.83 P2RY6 (0.53) P2RY6ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL29558297 0.79 ALDH1A1 (0.62) P2RY6ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL31651948 0.78 P2RY6 (0.56) P2RY6TP53TSHRHSD17B10KMT2A
SCHEMBL725810 0.78 ALDH1A1 (0.75) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL13498468 0.78 P2RY6 (0.64) P2RY6ALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL3804765 0.76 RAB9A (0.56) P2RY6ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL28726097 0.75 P2RY6 (0.50) P2RY6ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1848797 0.74 MIF (0.54) P2RY6ALDH1A1CYP3A4HPGDALOX12
SCHEMBL25392431 0.74 NPC1 (0.52) P2RY6TP53KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321286-A1 PROTOCOL FOR MINIMIZING TOXICITY OF COMBINATION DOSAGES AND IMAGING AGENT FOR VERIFICATION PROLYNX LLC (US) 2023-10-12 — — 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-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 — — US disclosed
US-11453652-B2 Di-macrocycles LUMIPHORE, INC. (US) 2022-09-27 — — US disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 — — EP disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
EP-2920157-B1 DI-MACROCYCLES LUMIPHORE INC (US) 2019-09-11 — — EP disclosed
US-10273256-B2 Macrocycles LUMIPHORE, INC. (US) 2019-04-30 — — US disclosed
US-20180298040-A1 MACROCYCLES LUMIPHORE, INC. 2018-10-18 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — US disclosed
EP-2920157-A1 DI-MACROCYCLES Lumiphore, Inc. (US) 2015-09-23 — — EP disclosed
EP-2452702-B1 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics BIOTRONIK AG (CH) 2015-03-04 — — EP disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 — — WO disclosed
US-20130302679-A1 RECHARGEABLE BATTERY, FUNCTIONAL POLYMER, AND METHOD FOR SYNTHESIS THEREOF POLYTHIONE CO. LTD (JP) 2013-11-14 — — US disclosed
CN-103038923-A Rechargeable battery, functional polymer, and method for synthesis thereof POLYTHIONE CO LTD 2013-04-10 — — CN disclosed
WO-2012174136-A1 CHELATED PSMA INHIBITORS CANCER TARGETED TECHNOLOGY LLC (US) 2012-12-20 — — WO disclosed
EP-2452702-A2 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics Biotronik AG (CH) 2012-05-16 — — EP disclosed
WO-2011152471-A2 RECHARGEABLE BATTERY, FUNCTIONAL POLYMER, AND METHOD FOR SYNTHESIS THEREOF 株式会社ポリチオン (JP) 2011-12-08 — — WO disclosed
EP-0135514-B1 CROSS LINKED POROUS MEMBRANES MEMTEC LIMITED (AU) 1990-11-07 — — EP disclosed
US-4661526-A THERMOPLASTIC POLYAMIDES OR POLYAMIDEIMIDE COPOLYMERS MEMTEC LIMITED (AU) 1987-04-28 — — 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 (8 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM P2RY6 4355/4885ALDH1A1 1477/4885CYP3A4 1567/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885ALDH1A1 1863/4885CYP3A4 758/4885
US-11453652-B2 Di-macrocycles DLD, NDC1, MCL1 P2RY6 4182/4885ALDH1A1 1827/4885CYP3A4 857/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM P2RY6 4355/4885ALDH1A1 1477/4885CYP3A4 1567/4885
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto FAP, APC, FIBP P2RY6 671/4885ALDH1A1 1322/4885CYP3A4 3961/4885
US-10273256-B2 Macrocycles HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885ALDH1A1 1863/4885CYP3A4 758/4885
US-20230321286-A1 PROTOCOL FOR MINIMIZING TOXICITY OF COMBINATION DOSAGES AND IMAGING AGENT FOR VERIFICATION SLC46A1, SLC19A1, SLC11A2 P2RY6 4436/4885ALDH1A1 1284/4885CYP3A4 1871/4885
US-20180298040-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885ALDH1A1 1863/4885CYP3A4 758/4885

“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.