SCHEMBL15054020

SCHEMBL15054020

Cc1c(CNC(=O)c2ccc(Br)cc2)sc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PTGS2 P35354 1/20 0.46
CCR5 P51681 1/20 0.46
SENP5 Q96HI0 1/20 0.45
SENP2 Q9HC62 1/20 0.45
SENP1 Q9P0U3 1/20 0.45
HDAC6 Q9UBN7 3/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HDAC1 Q13547 2/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 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
SCHEMBL6471899 0.75 TAS1R3 (0.62) TAS1R3TAS1R1PTGS2ALDH1A1GAA
SCHEMBL6323143 0.73 TAS1R3 (0.49) TAS1R3TAS1R1HDAC6HDAC8ALDH1A1
SCHEMBL8042301 0.73 HDAC6 (0.77) HDAC6HDAC2HDAC8ALDH1A1HPGD
SCHEMBL6591415 0.72 F10 (0.52) SENP5SENP2SENP1ALDH1A1SMN1; SMN2
SCHEMBL1253465 0.71 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1MAPK1RAB9A
SCHEMBL3638304 0.70 HPGD (0.43) TAS1R3TAS1R1HDAC6HDAC2HPGD
SCHEMBL27903146 0.70 HDAC6 (0.75) HDAC6HDAC2HDAC8HPGDCA1
SCHEMBL5325191 0.69 MMP13 (0.58) SENP1HDAC6HDAC2HDAC8ALDH1A1
SCHEMBL13973068 0.68 TAS1R3 (0.45) TAS1R3TAS1R1ALDH1A1MAPK1L3MBTL1
SCHEMBL30693720 0.68 PRNP (0.49) TAS1R3TAS1R1ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
WO-2013096971-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-27 WO disclosed
WO-2013096971-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-27 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-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST GFPT1, NUDT1, INF2 TAS1R3 4158/4885TAS1R1 4221/4885PTGS2 4319/4885

“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.