SCHEMBL20087802

SCHEMBL20087802

CC1=C(C)C(=O)C(CC(C)C)=C(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
IDO1 P14902 1/20 0.38
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL24257392 0.79 PTPN2 (0.37) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL14747552 0.76 IDO1 (0.63) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL12986595 0.76 IDO1 (0.68) CDC25BIDO1ALOX15
SCHEMBL10295726 0.70 ALOX15 (0.35) PTPN2PTPN1CDC25BALOX15
SCHEMBL1187679 0.70 IDO1 (0.57) PTPN2PTPN1CDC25BIDO1
SCHEMBL21675638 0.69 ALOX15 (0.34) PTPN2PTPN1CDC25BALOX15
SCHEMBL10446161 0.69 ALOX15 (0.38) PTPN2PTPN1CDC25BALOX15
SCHEMBL2026471 0.69 ALOX15 (0.34) PTPN2PTPN1CDC25BALOX15
SCHEMBL8125090 0.69 PTPN2 (0.46) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1187716 0.68 PTPN1 (0.68) PTPN2PTPN1CDC25BIDO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20220047725-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-02-17 US disclosed
US-11179482-B2 Chemiluminescent probes for diagnostics and in vivo imaging RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2021-11-23 US disclosed
US-20200237932-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-07-30 US disclosed
US-10660974-B2 Chemiluminescent probes for diagnostics and in vivo imaging RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-05-26 US disclosed
US-20190290787-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2019-09-26 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 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 (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-10660974-B2 Chemiluminescent probes for diagnostics and in vivo imaging DAXX, DCAF15, DCAF1 PTPN2 3363/4885PTPN1 3217/4885CDC25B 4249/4885
US-20200237932-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, CDY1; CDY1B PTPN2 2791/4885PTPN1 2721/4885CDC25B 3974/4885
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 PTPN2 330/4885PTPN1 293/4885CDC25B 265/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PTPN2 1553/4885PTPN1 1552/4885CDC25B 853/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A PTPN2 938/4885PTPN1 961/4885CDC25B 117/4885
US-20220047725-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, CDY1; CDY1B PTPN2 2791/4885PTPN1 2721/4885CDC25B 3974/4885
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 PTPN2 970/4885PTPN1 1764/4885CDC25B 46/4885
US-11179482-B2 Chemiluminescent probes for diagnostics and in vivo imaging DAXX, DCAF15, CDY1; CDY1B PTPN2 2791/4885PTPN1 2721/4885CDC25B 3974/4885
US-20190290787-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, DCAF1 PTPN2 3363/4885PTPN1 3217/4885CDC25B 4249/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 PTPN2 1037/4885PTPN1 1473/4885CDC25B 60/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 PTPN2 1273/4885PTPN1 1813/4885CDC25B 53/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 PTPN2 2946/4885PTPN1 3034/4885CDC25B 1804/4885

“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.