SCHEMBL16347339

SCHEMBL16347339

Cc1cc(C=O)nn1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.34
ENPP3 O14638 5/20 0.34
ALPL P05186 5/20 0.34
XIAP P98170 5/20 0.34
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 1/20 0.33

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
SCHEMBL3736287 0.76 FAAH (0.37) TSHRMEN1KMT2ATP53ALDH1A1
SCHEMBL4457538 0.75 TSHR (0.60) TSHRMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL11561048 0.74 TSHR (0.58) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL173908 0.72 ENPP3 (0.42) TSHRMEN1KMT2AMAPTTP53
SCHEMBL28485155 0.72 ALDH1A1 (0.42) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL1043577 0.71
SCHEMBL19469174 0.69 MAPT (0.43) TSHRMEN1KMT2AMAPTTP53
SCHEMBL2517751 0.67 MAPK1 (0.51) TSHRCYP1A2CYP2C19MAPK1LMNA
SCHEMBL14163900 0.67 AURKA (0.40) ALDH1A1CYP1A2POLBLMNAKDM4E
Hydrochloric Acid SCHEMBL29002976 0.65 AURKA (0.39) ALDH1A1CYP1A2POLBLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 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 (1 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-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 TSHR 2771/4885MEN1 4646/4885KMT2A 888/4885

“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.