SCHEMBL462386

SCHEMBL462386

Nc1ccc2c(oc(=O)c3occc32)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GPR35 Q9HC97 5/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP1B1 Q16678 1/20 0.31
NFKB1 P19838 1/20 0.31
ALOX15 P16050 1/20 0.31
PKLR P30613 1/20 0.30
GALNT2 Q10471 1/20 0.30
GALNT1 Q10472 1/20 0.30
GALNT3 Q14435 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
SCHEMBL435878 0.80 ESR1 (0.38) ESR1ESR2MAOAMAOBHPGD
SCHEMBL434719 0.72 TSHR (0.35) ESR1ESR2GPR35MAOAMAOB
SCHEMBL24752719 0.67 KDM4E (0.41) ESR2HPGDALDH1A1CYP3A4KDM4E
SCHEMBL29164227 0.66 KEAP1 (0.35) GPR35HPGDALDH1A1KDM4ECYP1A2
SCHEMBL3822164 0.65 KMT2A (0.48) HPGDALDH1A1LMNACYP3A4KDM4E
SCHEMBL31348929 0.65 KMT2A (0.48) HPGDALDH1A1LMNACYP3A4KDM4E
SCHEMBL10935647 0.62 EP300 (0.45) ESR1ESR2HPGDALDH1A1LMNA
SCHEMBL1000209 0.61 KMT2A (0.44) HPGDALDH1A1LMNACYP3A4KDM4E
SCHEMBL22595265 0.61 KCNA2 (0.34) MAOAMAOBHPGDALDH1A1LMNA
SCHEMBL30001470 0.61 KDM4E (0.48) GPR35MAOAMAOBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 ESR1 3263/4885ESR2 2143/4885GPR35 1083/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 ESR1 3263/4885ESR2 2143/4885GPR35 1083/4885

“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.