SCHEMBL10166040

SCHEMBL10166040

CCC(NC(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.32
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL2625030 1.00 ALDH1A1 (0.35) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL24221392 0.82 HDAC7 (0.35) TDP1TSHR
SCHEMBL10166039 0.82 HDAC7 (0.35) TDP1TSHR
SCHEMBL25777637 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13213430 0.81 TGFBR1 (0.34) TDP1TSHR
SCHEMBL12766316 0.81 TGFBR1 (0.34) TDP1TSHR
SCHEMBL19361692 0.79 TDP1 (0.30) TDP1
SCHEMBL18932853 0.79 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL12766327 0.79 ALDH1A1 (0.44) ALDH1A1MMP2
SCHEMBL24494714 0.79 ACE (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024016071-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-01-25 — — WO disclosed
US-20230134116-A1 CONJUGATES FOR SELECTIVE RESPONSIVENESS TO VICINAL DIOLS PROTOMER TECHNOLOGIES, INC. 2023-05-04 — — US disclosed
US-20230134116-A1 CONJUGATES FOR SELECTIVE RESPONSIVENESS TO VICINAL DIOLS PROTOMER TECHNOLOGIES, INC. 2023-05-04 — — US disclosed
WO-2021217019-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-28 — — WO disclosed
US-20170144998-A1 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2017-05-25 — — US disclosed
US-9656972-B2 Compounds for treatment of cystic fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-23 — — US disclosed
US-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-06-09 — — US disclosed
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 — — US disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 — — 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 (5 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-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, ELANE, OTC ALDH1A1 1108/4885TDP1 4703/4885MMP1 42/4885
US-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK ALDH1A1 4759/4885TDP1 810/4885MMP1 4782/4885
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 ALDH1A1 2824/4885TDP1 3975/4885MMP1 3090/4885
US-20230134116-A1 CONJUGATES FOR SELECTIVE RESPONSIVENESS TO VICINAL DIOLS GPR119, GLP1R, IAPP ALDH1A1 1361/4885TDP1 3729/4885MMP1 3189/4885
US-20170144998-A1 ELASTASE INHIBITORS SERPINB1, ELANE, CELA1 ALDH1A1 2088/4885TDP1 1042/4885MMP1 29/4885

“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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