SCHEMBL735675

SCHEMBL735675

O=S(=O)(Cc1ccccc1)N1CC1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.81
HPGD P15428 1/20 0.81
RAB9A P51151 1/20 0.68
NPC1 O15118 1/20 0.66
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
CYP2C19 P33261 1/20 0.64
POLB P06746 1/20 0.64

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
SCHEMBL6738518 0.92 TSHR (0.96) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL10077130 0.91 L3MBTL1 (0.71) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL3936704 0.90 TSHR (1.00) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL9612077 0.90 TSHR (1.00) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL10726921 0.89 ALDH1A1 (0.74) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL4447317 0.89 TSHR (0.67) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL5127258 0.88 TSHR (0.71) TSHRHPGDRAB9ANPC1KMT2A
Hydrazine SCHEMBL28119021 0.88 TSHR (0.89) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL656086 0.87 TSHR (0.69) TSHRHPGDRAB9ANPC1KMT2A
SCHEMBL4608001 0.87 KMT2A (0.85) TSHRHPGDRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104745007-B Graphene composite and preparation method thereof 东进世美肯株式会社 2022-01-18 CN claimed
CN-104745007-A GRAPHENE COMPOSITE AND METHOD FOR PREPARING THE SAME DONGJIN SEMICHEM CO LTD 2015-07-01 CN claimed
CN-117417343-A Synthetic method of natural products Pancratinine B and C 华中科技大学 2024-01-19 CN disclosed
CN-117417342-A Synthetic method of natural products Pancratinine B and C 华中科技大学 2024-01-19 CN disclosed
CN-113754674-B Synthetic method of natural products Pancratinine B and C 华中科技大学 2023-11-28 CN disclosed
CN-113637009-B Method for preparing aza-heterocyclic compound 华中科技大学 2023-03-28 CN disclosed
CN-104745007-B Graphene composite and preparation method thereof 东进世美肯株式会社 2022-01-18 CN disclosed
US-9994443-B2 Modified nicotinic compounds and related methods SELECTA BIOSCIENCES, INC. (US) 2018-06-12 US disclosed
CN-104745007-A GRAPHENE COMPOSITE AND METHOD FOR PREPARING THE SAME DONGJIN SEMICHEM CO LTD 2015-07-01 CN disclosed
EP-2640190-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS Selecta Biosciences, Inc. (US) 2013-09-25 EP disclosed
CN-102702044-A Carbocyclic and heterocyclic arylsulfones as gamma secretase inhibitors SCHERING CORP 2012-10-03 CN disclosed
WO-2012061717-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS SELECTA BIOSCIENCES, INC. (US) 2012-05-10 WO disclosed
US-20120114677-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS SELECTA BIOSCIENCES, INC. (US) 2012-05-10 US disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
CN-101495152-A Preparation of polymer conjugates of vla-4 antagonists via a mitsunobu' s reaction ELAN PHARM INC (US) 2009-07-29 CN disclosed
EP-2019690-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU'S REACTION Elan Pharmaceuticals Inc. (US) 2009-02-04 EP disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US disclosed
WO-2007137260-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU' S REACTION ELAN PHARMACEUTICALS, INC. (US) 2007-11-29 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 (2 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT TSHR 2205/4885HPGD 1728/4885RAB9A 2191/4885
US-20120114677-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS NNMT, CHRNG, CHRM5 TSHR 2185/4885HPGD 800/4885RAB9A 1941/4885

“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.