SCHEMBL13559874

SCHEMBL13559874

CC(C)=CC(=O)OC[C@]1(C)C2CC[C@]3(C)C(CC=C4C5CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]5(CO)[C@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.56
▸ TOP1 P11387 4/20 0.53
▸ IKBKB O14920 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ BCL2L1 Q07817 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ F3 P13726 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ USP7 Q93009 1/20 0.48
▸ SLCO1B3 Q9NPD5 1/20 0.48
▸ SLCO1B1 Q9Y6L6 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ CXCR5 P32302 1/20 0.46
▸ APLNR P35414 1/20 0.46
▸ CCR6 P51684 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
SCHEMBL13559858 0.95 NFKB1 (0.52) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL18411779 0.95 NFKB1 (0.52) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559859 0.94 PTPN1 (0.56) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559906 0.93 PTPN1 (0.56) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559878 0.91 PTPN1 (0.55) PTPN1TOP1POLBF3USP2
SCHEMBL13559866 0.91 NFKB1 (0.52) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL26677442 0.91 TOP1 (0.49) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL22144725 0.91 PTPN1 (0.47) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL18411765 0.90 PTPN1 (0.46) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL18407022 0.90 NFKB1 (0.51) PTPN1TOP1IKBKBNFKB1NFKB2

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-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-10-26 — — US disclosed
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-05-25 — — US disclosed
US-20200199172-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2020-06-25 — — US disclosed
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-09-21 — — US disclosed
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-09-21 — — US disclosed
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 — — US disclosed
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 — — US disclosed
US-9434677-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (HK) 2016-09-06 — — US disclosed
US-8785405-B2 Compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (CN) 2014-07-22 — — US disclosed
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2014-07-17 — — US disclosed
US-20140024113-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2014-01-23 — — US disclosed
US-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2012-11-01 — — 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-20140024113-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, EPCAM PTPN1 1667/4885TOP1 3713/4885IKBKB 845/4885
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 PTPN1 2251/4885TOP1 4774/4885IKBKB 112/4885
US-20200199172-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 PTPN1 2170/4885TOP1 4774/4885IKBKB 113/4885
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, MCL1 PTPN1 1266/4885TOP1 3389/4885IKBKB 1332/4885
US-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, EPCAM PTPN1 1667/4885TOP1 3713/4885IKBKB 845/4885
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES UACA, BRDT, FLT3 PTPN1 3361/4885TOP1 1831/4885IKBKB 578/4885
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, TEK PTPN1 2253/4885TOP1 4760/4885IKBKB 143/4885
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 PTPN1 2251/4885TOP1 4774/4885IKBKB 112/4885

“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.

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