Sugi Predict

Sugi Predict / Compounds / SCHEMBL8931381

SCHEMBL8931381

SCHEMBL8931381

CC(C)(C)N1Cc2ccccc2CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ NOTUM Q6P988 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RNASEH1 O60930 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR7 P34969 2/20 0.36

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
SCHEMBL12142210 0.77 ALDH1A1 (0.41) CYP1A2NOTUMHPGDKMT2AMEN1
SCHEMBL677618 0.74 BRD4 (0.50) CYP1A2CYP2A6NOTUMRXFP1RNASEH1
SCHEMBL5956084 0.73 CYP1A2 (0.41) CYP1A2CYP2A6NOTUMRXFP1RNASEH1
SCHEMBL122427 0.73 KMT2A (0.57) RNASEH1ACHEGAAPKMKMT2A
SCHEMBL8272853 0.71 — —
SCHEMBL13507876 0.71 CYP1A2 (0.43) CYP1A2CYP2A6NOTUMRXFP1RNASEH1
SCHEMBL13547412 0.70 RAB9A (0.37) NOTUMRXFP1PKMKMT2AMEN1
SCHEMBL13078127 0.70 BRD4 (0.61) ACHEKMT2AMEN1
SCHEMBL17482002 0.70 POLB (0.35) GAA
SCHEMBL13239543 0.70 CYP1A2 (0.52) CYP1A2CYP2A6NOTUMRNASEH1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015085-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-01-18 — — US disclosed
US-20180009808-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-01-11 — — US disclosed
US-9808457-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-11-07 — — US disclosed
US-9802935-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-10-31 — — US disclosed
US-20170121348-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-05-04 — — US disclosed
US-20170121331-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-05-04 — — US disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 — — US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 — — US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 — — US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — 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 (10 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-20180009808-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 CYP1A2 2545/4885CYP2A6 3085/4885NOTUM 3684/4885
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP1A2 111/4885CYP2A6 171/4885NOTUM 421/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP CYP1A2 4624/4885CYP2A6 4265/4885NOTUM 2900/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A CYP1A2 42/4885CYP2A6 60/4885NOTUM 810/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CYP1A2 111/4885CYP2A6 171/4885NOTUM 421/4885
US-20180015085-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 CYP1A2 2582/4885CYP2A6 3377/4885NOTUM 3717/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP1A2 111/4885CYP2A6 171/4885NOTUM 421/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP1A2 111/4885CYP2A6 171/4885NOTUM 421/4885
US-20170121331-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 CYP1A2 2545/4885CYP2A6 3085/4885NOTUM 3684/4885
US-20170121348-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 CYP1A2 2582/4885CYP2A6 3377/4885NOTUM 3717/4885

“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.