SCHEMBL17318403

SCHEMBL17318403

COc1cccc(CC2CCCCC2C(=O)NCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.58
PTGER4 P35408 3/20 0.48
CTSK P43235 1/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
F2 P00734 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 3/20 0.46
APEX1 P27695 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 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
SCHEMBL17318429 0.92 CTSK (0.48) MMP13CTSKKMT2AALDH1A1F2
SCHEMBL17318395 0.91 MMP13 (0.47) MMP13PTGER4CTSKKMT2AALDH1A1
SCHEMBL17318458 0.90 MMP13 (0.47) MMP13PTGER4CTSKKMT2AALDH1A1
SCHEMBL20285807 0.90 KMT2A (0.49) MMP13CTSKKMT2AALDH1A1CYP3A4
SCHEMBL17318470 0.89 MMP13 (0.47) MMP13PTGER4KMT2AALDH1A1F2
SCHEMBL17318440 0.89 KMT2A (0.54) CTSKKMT2AALDH1A1F2
SCHEMBL19051239 0.87 KMT2A (0.46) MMP13PTGER4CTSKKMT2AALDH1A1
SCHEMBL19051217 0.86 KMT2A (0.45) MMP13PTGER4KMT2AALDH1A1F2
SCHEMBL17318457 0.86 NR1H4 (0.57) ALDH1A1F2HSD17B10PKM
SCHEMBL19051234 0.85 KMT2A (0.46) MMP13PTGER4KMT2AALDH1A1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 US disclosed
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 US disclosed
EP-3152188-B1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2019-02-13 EP disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 US disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 US disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 US disclosed
EP-3152188-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2017-04-12 EP disclosed
WO-2015188152-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2015-12-10 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 (3 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-10407382-B2 EP4 agonists as therapeutic compounds PTGER4, PTGER1, PTGER3 MMP13 2376/4885PTGER4 1/4885CTSK 2892/4885
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 MMP13 3012/4885PTGER4 1/4885CTSK 3050/4885
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 MMP13 3012/4885PTGER4 1/4885CTSK 3050/4885

“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.