SCHEMBL20347162

SCHEMBL20347162

CC(C)(C)OC(Cc1ccc(NS(C)(=O)=O)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PTPRB P23467 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRA P18433 1/20 0.45
RECQL P46063 1/20 0.44
NR3C2 P08235 1/20 0.44
NPC1 O15118 1/20 0.43
AR P10275 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL20350669 0.82 EPHX2 (0.42) EPHX2NR1H4PTPN1
SCHEMBL24835596 0.82 KDM4E (0.49) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL20347415 0.81 PTPN1 (0.46) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL20347416 0.79 BLM (0.45) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL20347148 0.79 BLM (0.41) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL19961863 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAPTPRBPTPN2
SCHEMBL27696522 0.78 SMN1; SMN2 (0.44) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL20347419 0.77 BLM (0.40) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL20350671 0.77 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1EPHX2NR1H4
SCHEMBL20347155 0.77 NPC1 (0.50) HPGDSMN1; SMN2KDM4EALDH1A1NR1H4

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
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US 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 (4 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 HPGD 172/4885SMN1; SMN2 3679/4885KDM4E 2596/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 HPGD 172/4885SMN1; SMN2 3679/4885KDM4E 2596/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HPGD 172/4885SMN1; SMN2 3679/4885KDM4E 2596/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HPGD 172/4885SMN1; SMN2 3679/4885KDM4E 2596/4885

“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.