SCHEMBL16036752

SCHEMBL16036752

CC[C@@H](NNC(=O)c1cccc(OC)c1C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
UTS2R Q9UKP6 1/20 0.43
P2RX7 Q99572 1/20 0.42
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL669098 1.00 ABCB1 (0.46) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL19946452 0.90 TAS1R3 (0.48) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL2682576 0.90 TAS1R3 (0.48) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL668773 0.88 TAS1R3 (0.44) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL22380835 0.88 TAS1R3 (0.44) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL3774894 0.86 TAS1R3 (0.42) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL2778946 0.86 ABCB1 (0.43) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL2681461 0.86 ABCB1 (0.43) ABCB1UTS2RP2RX7EEDRBBP4
SCHEMBL668846 0.84 P2RX7 (0.40) UTS2RP2RX7RAB9ALMNANPC1
SCHEMBL17625005 0.80 CTSS (0.36) TAS1R3TAS1R1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 US disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORP (US) 2018-07-19 US disclosed
WO-2016044390-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORPORATION (US) 2016-03-24 WO disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 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 (7 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885UTS2R 1725/4885P2RX7 4296/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR ABCB1 279/4885UTS2R 1812/4885P2RX7 4331/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885UTS2R 1725/4885P2RX7 4296/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885UTS2R 1725/4885P2RX7 4296/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR ABCB1 464/4885UTS2R 1725/4885P2RX7 4296/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885UTS2R 1725/4885P2RX7 4296/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR ABCB1 279/4885UTS2R 1812/4885P2RX7 4331/4885

“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.