SCHEMBL22380701

SCHEMBL22380701

COC(=O)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
ALDH1A1 P00352 2/20 0.57
AURKA O14965 1/20 0.56
RAF1 P04049 1/20 0.56
TGM2 P21980 5/20 0.51
SMYD3 Q9H7B4 2/20 0.51
CASP3 P42574 1/20 0.50
CES1 P23141 4/20 0.49
PTPRC P08575 1/20 0.48
CASP1 P29466 1/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20594709 0.87 TGM2 (0.51) PDPK1ALDH1A1AURKARAF1TGM2
SCHEMBL30183643 0.87 TGM2 (0.51) PDPK1ALDH1A1AURKARAF1TGM2
SCHEMBL10061664 0.84 PDPK1 (0.55) PDPK1ALDH1A1AURKARAF1CASP3
SCHEMBL9113250 0.83 CA12 (0.50) ALDH1A1TGM2SMYD3CES1CA12
SCHEMBL3052163 0.82 PDPK1 (0.53) PDPK1ALDH1A1AURKARAF1CASP3
Hydrochloric Acid SCHEMBL11430193 0.82 CA12 (0.49) ALDH1A1TGM2SMYD3CES1CA12
SCHEMBL21440350 0.81 PDPK1 (0.50) PDPK1AURKARAF1CASP3TDP1
SCHEMBL23252156 0.80 PDPK1 (0.51) PDPK1ALDH1A1AURKARAF1CASP3
SCHEMBL5894451 0.80 PDPK1 (0.63) PDPK1ALDH1A1AURKARAF1TGM2
SCHEMBL5894610 0.80 PDPK1 (0.63) PDPK1ALDH1A1AURKARAF1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099438-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS UNIVERSITY OF MARYLAND, BALTIMORE 2025-03-27 US disclosed
US-12194027-B2 Small molecule inhibitors of GPCR GPR68 and related receptors for treating cancer, glioblastoma, and other indications UNIVERSITY OF MARYLAND, BALTIMORE (US) 2025-01-14 US disclosed
US-20240327364-A1 THERAPEUTIC TARGETING OF GPR68 TO INDUCE FERROPTOSIS UNIVERSITY OF MARYLAND, BALTIMORE 2024-10-03 US disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 WO disclosed
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-11370779-B2 Pharmaceutical composition for preventing or treating acute myeloid leukemia or metastatic breast cancer Pelemed Co., Ltd. (KR) 2022-06-28 US disclosed
EP-3955922-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS University of Maryland, Baltimore (US) 2022-02-23 EP disclosed
WO-2020214896-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-22 WO disclosed
WO-2020214896-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-22 WO disclosed
US-20200270229-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ACUTE MYELOID LEUKEMIA OR METASTATIC BREAST CANCER Pelemed Co., Ltd. (KR) 2020-08-27 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-20200270229-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ACUTE MYELOID LEUKEMIA OR METASTATIC BREAST CANCER FLT3, ABL1, MCL1 PDPK1 1558/4885ALDH1A1 1640/4885AURKA 80/4885
US-20240327364-A1 THERAPEUTIC TARGETING OF GPR68 TO INDUCE FERROPTOSIS GPR68, GPR65, GPR84 PDPK1 512/4885ALDH1A1 3482/4885AURKA 1543/4885
US-20250099438-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS GPR68, GPR65, GPR4 PDPK1 1790/4885ALDH1A1 4359/4885AURKA 2371/4885
US-12194027-B2 Small molecule inhibitors of GPCR GPR68 and related receptors for treating cancer, glioblastoma, and other indications GPR68, GPR65, GPR4 PDPK1 1790/4885ALDH1A1 4359/4885AURKA 2371/4885
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS GPR68, GPR65, GPR4 PDPK1 1790/4885ALDH1A1 4359/4885AURKA 2371/4885
US-11370779-B2 Pharmaceutical composition for preventing or treating acute myeloid leukemia or metastatic breast cancer FLT3, ABL1, MCL1 PDPK1 1558/4885ALDH1A1 1640/4885AURKA 80/4885

“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.