SCHEMBL2848424

SCHEMBL2848424

CCC#CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
VDR P11473 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PSMD10 O75832 1/20 0.35

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
SCHEMBL14997971 0.93 CA1 (0.44) CA12CA1CA9STAT3ALDH1A1
SCHEMBL14997649 0.90 CA12 (0.40) CA12CA1CA9STAT3ALDH1A1
SCHEMBL2841787 0.88 MCHR1 (0.39) CA12CA1CA9STAT3ALDH1A1
SCHEMBL11138066 0.87 CA12 (0.42) CA12CA1CA9STAT3ALDH1A1
SCHEMBL8370835 0.85 CA12 (0.41) CA12CA1CA9STAT3ALDH1A1
SCHEMBL10731624 0.85 MCHR1 (0.43) CA12CA1CA9STAT3ALDH1A1
SCHEMBL1603835 0.83 GAA (0.41) CA12CA1CA9STAT3ALDH1A1
SCHEMBL30406323 0.83 CA12 (0.41) CA12CA1CA9STAT3ALDH1A1
SCHEMBL11759385 0.83 CA12 (0.41) CA12CA1CA9STAT3ALDH1A1
SCHEMBL9672034 0.83 CA12 (0.47) CA12CA1CA9STAT3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
EP-2799427-B1 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
EP-2799427-A1 Therapeutic compounds Fibrotech Therapeutics PTY LTD (AU) 2014-11-05 EP disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
EP-2035369-B1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-06-25 EP disclosed
WO-2013036866-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-14 WO disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO 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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 CA12 2889/4885CA1 4232/4885CA9 1511/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC CA12 2879/4885CA1 4202/4885CA9 1651/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 CA12 132/4885CA1 2124/4885CA9 595/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885

“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.