SCHEMBL141941

SCHEMBL141941

CC#CCOc1cc(C=O)ccc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.45
FDPS P14324 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR2 P21452 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL29440158 1.00 PDE4B (0.45) PDE4BFDPSALDH1A1TSHRDRD1
SCHEMBL2843898 0.83 ALDH1A1 (0.62) PDE4BFDPSALDH1A1TSHRHTT
SCHEMBL141492 0.83 KDM4E (0.48) PDE4BALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL141491 0.83 KDM4E (0.48) PDE4BALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1143785 0.81 ALDH1A1 (0.58) PDE4BFDPSALDH1A1TSHRDRD1
SCHEMBL31619160 0.81 ALDH1A1 (0.58) PDE4BFDPSALDH1A1TSHRDRD1
SCHEMBL2838672 0.80 FDPS (0.67) PDE4BFDPSALDH1A1TSHRHTT
SCHEMBL7367749 0.79 FDPS (0.45) PDE4BFDPSALDH1A1TSHRDRD1
SCHEMBL29440132 0.79 DRD1 (0.53) PDE4BFDPSALDH1A1TSHRDRD1
SCHEMBL140841 0.79 DRD1 (0.53) PDE4BFDPSALDH1A1TSHRDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107162928-B Halogenated analogs of anti-fibrotic agents 塞尔塔医疗有限公司 2022-03-11 CN disclosed
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2012-03-08 US disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 US disclosed
EP-2220028-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2010-08-25 EP disclosed
WO-2009079692-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2009-07-02 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 (2 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-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF PDE4B 1131/4885FDPS 399/4885ALDH1A1 242/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF PDE4B 1131/4885FDPS 399/4885ALDH1A1 242/4885

“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.