SCHEMBL1607103

SCHEMBL1607103

CS(=O)(=O)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.64
PIP4K2B P78356 2/20 0.64
ESR1 P03372 7/20 0.64
CYP19A1 P11511 2/20 0.64
HTR6 P50406 1/20 0.60
MAOA P21397 1/20 0.49
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
BRPF1 P55201 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
AR P10275 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL2769457 0.86 PIP4K2A (0.64) PIP4K2APIP4K2BESR1CYP19A1HTR6
Ethoxycarbonyl Group SCHEMBL28293139 0.85 PIP4K2A (0.51) PIP4K2APIP4K2BESR1CYP19A1HTR6
SCHEMBL16719331 0.80 ESR1 (0.78) PIP4K2APIP4K2BESR1CYP19A1HTR6
SCHEMBL5820194 0.78 ESR1 (0.74) ESR1CYP19A1HTR6HDAC3HDAC4
SCHEMBL16719387 0.76 ESR1 (0.53) PIP4K2APIP4K2BESR1CYP19A1HTR6
SCHEMBL30066245 0.76 ESR1 (0.51) ESR1CYP19A1HTR6MAOAHDAC1
SCHEMBL6218772 0.76 ESR1 (0.51) ESR1CYP19A1HTR6MAOAHDAC1
SCHEMBL3037102 0.75 ESR1 (0.80) ESR1CYP19A1HTR6PGRHDAC3
SCHEMBL12129007 0.75 SYK (0.55) ESR1CYP19A1HTR6MAOA
Ethoxycarbonyl Group SCHEMBL28291606 0.73 PIP4K2A (0.51) PIP4K2APIP4K2BESR1CYP19A1HTR6

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-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP 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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK PIP4K2A 628/4885PIP4K2B 787/4885ESR1 3926/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 PIP4K2A 630/4885PIP4K2B 667/4885ESR1 4423/4885

“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.